643	643	934	0:SP2_SP2_SPD5	C[6a]	C[6a]	Si[3x6]	5:3:3:	3:3:1:	3:3:3:2:2:	Si[3x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6a](Si[3x6]N[5a,6,6]2O[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]Si[3x6]C[6a])(C[6a]C[6a]H)(H)	Si[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2	C[6a](Si[3x6]N[5a,6,6]2O[6]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]Si[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	Si[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2{11|C<3>,2|H<1>}	122.3585	5.585	2	122.3585	31.197	2	122.3585	31.197	2	122.3585	31.197	2	122.3585	31.197	2	122.3585	31.197	2
643	643	935	0:SP2_SP2_SPD6	C[6a]	C[6a]	P[4x6]	6:3:3:	3:3:1:	3:3:3:3:3:2:	P[4x6]-6:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O-2:	C[6a](P[4x6]N[5a,6,6]4O)(C[6a]C[6a]H)2	C[6a](C[6a]P[4x6]C[6a])(C[6a]C[6a]H)(H)	P[4x6](N[5a,6,6]C[5a,6]2)4(C[6a]C[6a]2)(OH)	C[6a](P[4x6]N[5a,6,6]4O)(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	C[6a](C[6a]P[4x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,4|N<3>}	P[4x6](N[5a,6,6]C[5a,6]2)4(C[6a]C[6a]2)(OH){14|C<3>,2|H<1>}	121.3950	0.023	2	121.3950	0.001	2	121.3950	0.001	2	121.3950	0.001	2	121.3950	0.001	2	121.3950	0.001	2
643	643	939	0:SP2_SP2_SP2	C[6a]	C[6a]	Ge[5]	3:3:3:	3:3:1:	4:3:3:	Ge[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5,5]-4:N[5]-3:C[6a]-3:	C[6a](Ge[5]P[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H)	Ge[5](P[5,5]C[5,5,6]N[5]2)(N[5]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](Ge[5]P[5,5]N[5])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	Ge[5](P[5,5]C[5,5,6]N[5]2)(N[5]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,4|C<3>,6|C<4>}	121.4790	3.540	2	121.4790	12.530	2	121.4790	12.530	2	121.4790	12.530	2	120.9027	6.771	4	120.9027	6.771	4
643	643	939	0:SP2_SP2_SP2	C[6a]	C[6a]	Ge[5]	3:3:3:	3:3:3:	3:3:2:	Ge[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Ge[5]-2:	C[6a](Ge[5]C[5,6a]Ge[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]P[5])	C[6a](Ge[5]C[5,6a]Ge[5])(C[6a]C[6a]2)2{1|P<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Ge<2>,1|H<1>,2|C<4>,5|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]P[5]){1|H<1>,8|C<3>}	120.3265	2.541	2	120.3265	6.455	2	120.3265	6.455	2	120.3265	6.455	2	120.9027	6.771	4	120.9027	6.771	4
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	P	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:P-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Cl-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PCl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]P)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]2)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PCl){2|P<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]P)(C[6a]C[6a]P){3|C<3>,3|H<1>}	P(C[6a]C[6a,6a]2)(Cl)	122.8580	3.965	2	122.8580	15.725	2	122.8580	15.725	2	122.8580	15.725	2	120.9535	7.065	6	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	P	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:P-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PP)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]P)(C[6a]C[6a]H)	P(C[6a]C[6a,6a]2)(PC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PP){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]P)(C[6a]C[6a]H){3|C<3>,3|H<1>}	P(C[6a]C[6a,6a]2)(PC[6a])	120.0012	1.705	4	120.0012	2.906	4	120.0012	2.906	4	120.0012	2.906	4	120.9535	7.065	6	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CW)	C[6a](C[6a]C[6a]H)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CW)	121.6850	5.568	2	121.6850	31.000	2	121.6850	31.000	2	121.6850	31.000	2	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CNU)	C[6a](C[6a]C[6a]H)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CNU)	121.7015	5.131	2	121.7015	26.332	2	121.5790	12.952	4	121.8164	18.403	43	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CThN)	C[6a](C[6a]C[6a]H)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CThN)	121.4565	3.531	2	121.4565	12.465	2	121.5790	12.952	4	121.8164	18.403	43	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(PC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(PC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[5]N[5]2)	120.4810	3.468	4	120.4810	12.025	4	120.4810	12.025	4	121.8164	18.403	43	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(PC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(PC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]N[6]2)	120.2435	0.021	2	120.2435	0.000	2	120.2435	0.000	2	121.8164	18.403	43	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2	123.6330	0.000	1	123.6330	0.000	1	122.1024	21.344	33	121.8164	18.403	43	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2	122.0546	4.686	32	122.0546	21.954	32	122.1024	21.344	33	121.8164	18.403	43	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CSi2H)	C[6a](C[6a]C[6a]H)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CSi2H)	122.2463	5.777	4	122.2463	33.379	4	122.2463	33.379	4	122.2463	33.379	4	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]O)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	P(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]O)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|O<2>}	P(C[6a]C[6a]2)(CC[6a]2)	121.1285	3.662	2	121.1285	13.411	2	121.1285	13.411	2	121.1285	13.411	2	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)2(PH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(PH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(H)	121.7100	3.592	4	121.7100	12.905	4	121.7100	12.905	4	121.7100	12.905	4	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:P-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(PP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	P(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(PP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|C<4>,2|H<1>,6|C<3>}	P(C[6a]C[6a]2)(PC[6a])	119.2510	0.000	1	119.2510	0.000	1	119.2510	0.000	1	119.2510	0.000	1	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)2(PC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]2)2(PC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(CC[6a]2)	119.9785	0.067	2	119.9785	0.005	2	119.9857	10.483	6	120.6661	27.820	16	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)2(PC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]2)2(PC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|Br<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(CC[6a]H)	119.9892	4.180	4	119.9892	17.470	4	119.9857	10.483	6	120.6661	27.820	16	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]2)2(PC[5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]2)2(PC[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(C[5]N[5]2)	121.0428	4.694	6	121.0428	22.037	6	121.0428	22.037	6	120.6661	27.820	16	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]2)2(PP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(PC[6a]C[5])	C[6a](C[6a]C[6a]2)2(PP){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(PC[6a]C[5])	121.7840	14.851	2	121.7840	220.542	2	121.7840	220.542	2	120.6661	27.820	16	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-3:	C[6a](C[6a]C[6a]2)2(PSi)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(SiHN)	C[6a](C[6a]C[6a]2)2(PSi){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(SiHN)	120.4590	5.286	2	120.4590	27.945	2	120.4590	27.945	2	120.6661	27.820	16	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)2(PP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(PC3)	C[6a](C[6a]C[6a]2)2(PP){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(PC3)	121.0430	13.134	2	121.0430	172.497	2	121.4562	61.016	10	121.4562	61.016	10	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]2)2(PP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(PC[6a]HO)	C[6a](C[6a]C[6a]2)2(PP){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(PC[6a]HO)	121.5595	7.331	8	121.5595	53.746	8	121.4562	61.016	10	121.4562	61.016	10	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(PH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(PH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(H)	121.8298	2.733	8	121.8298	7.472	8	121.8376	5.170	12	121.8376	5.170	12	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(PH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(PH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(H)	121.8533	1.234	4	121.8533	1.524	4	121.8376	5.170	12	121.8376	5.170	12	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(PP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(PP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(CH3){3|C<3>}	P(C[6a]C[6a]2)(PC[6a])	120.3880	0.000	1	120.3880	0.000	1	119.8139	3.022	21	119.8139	3.022	21	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-2:	C[6a](C[6a]C[6a]C)2(PP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]C)2(PP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(PC[6a])	120.2730	0.863	2	120.2730	0.744	2	119.8139	3.022	21	119.8139	3.022	21	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-2:	C[6a](C[6a]C[6a]C)2(PP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(PC[5])	C[6a](C[6a]C[6a]C)2(PP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)(PC[5])	118.9990	1.349	2	118.9990	1.820	2	119.8139	3.022	21	119.8139	3.022	21	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-2:	C[6a](C[6a]C[6a]C)2(PP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSi2H)	P(C[6a]C[6a]2)(PC[3x6])	C[6a](C[6a]C[6a]C)2(PP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSi2H){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(PC[3x6])	119.6864	2.157	8	119.6864	4.652	8	119.8139	3.022	21	119.8139	3.022	21	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-2:	C[6a](C[6a]C[6a]C)2(PP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSi2H)	P(C[6a]C[6a]2)(PC[5])	C[6a](C[6a]C[6a]C)2(PP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSi2H){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(PC[5])	120.0500	0.527	4	120.0500	0.278	4	119.8139	3.022	21	119.8139	3.022	21	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-2:	C[6a](C[6a]C[6a]C)2(PP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSi2H)	P(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]C)2(PP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSi2H){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(PC[6a])	119.8672	2.710	4	119.8672	7.343	4	119.8139	3.022	21	119.8139	3.022	21	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[4]Ge[4]C[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(PC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[4]Ge[4]C[4])(C[6a]C[6a]2)	120.2840	2.266	2	120.2840	5.133	2	120.2840	5.133	2	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(PC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[5]C[5,6a]2)(C[6a]C[6a]2)	120.5160	1.025	6	120.5160	1.050	6	120.5160	1.050	6	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(PC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	119.9415	0.745	2	119.9415	0.554	2	119.9415	0.554	2	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6]Ge[6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(PC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6]Ge[6]C[6])(C[6a]C[6a]2)	120.7240	3.817	2	120.7240	14.569	2	120.7240	14.569	2	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(CH3){1|C<3>,1|C<4>,1|P<2>}	P(C[6a]C[6a]2)(CC[6a]O)	120.0415	2.713	2	120.0415	7.361	2	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CBrC)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CBrC)	120.1605	1.090	2	120.1605	1.187	2	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CBrF)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CBrF)	119.8030	0.132	2	119.8030	0.017	2	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CCC)	120.2420	0.385	2	120.2420	0.148	2	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CCH)	120.3572	0.432	6	120.3572	0.186	6	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[5]H)	120.0422	1.219	4	120.0422	1.487	4	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[6]C)	119.9571	1.560	10	119.9571	2.435	10	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[6a]C)	120.2620	0.076	2	120.2620	0.006	2	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[6a]H)	120.0692	1.251	8	120.0692	1.565	8	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[6a]O)	120.2740	0.444	2	120.2740	0.197	2	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CClGe)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CClGe)	119.5985	0.460	2	119.5985	0.212	2	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CClP)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CClP)	120.0701	1.284	10	120.0701	1.648	10	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CClSn)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CClSn)	120.4650	0.639	4	120.4650	0.408	4	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CSiP)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CSiP)	119.6976	0.624	5	119.6976	0.389	5	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)(CCN)	120.0355	2.103	4	120.0355	4.424	4	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)(CC[6a]N)	119.8983	2.047	4	119.8983	4.191	4	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3)	P(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)(CC[6a]2)	121.3490	1.455	2	121.3490	2.118	2	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[6a]2)	120.0731	1.928	14	120.0731	3.718	14	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[6a]C[5])	120.0470	1.121	2	120.0470	1.258	2	120.0896	1.729	87	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[3]-3:	C[6a](C[6a]C[6a]C)2(PC[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(C[3]C[3]2)	C[6a](C[6a]C[6a]C)2(PC[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(C[3]C[3]2)	120.5410	0.025	2	120.5410	0.001	2	120.5410	0.001	2	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]C)2(PC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(C[4]C[4]2)	C[6a](C[6a]C[6a]C)2(PC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(C[4]C[4]2)	120.0397	0.917	4	120.0397	0.840	4	120.0397	0.840	4	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C)2(PC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]C)2(PC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(C[5]N[5]2)	120.9335	0.484	2	120.9335	0.235	2	120.9335	0.235	2	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	P(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2	120.0200	0.000	1	120.0200	0.000	1	120.7333	0.403	3	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(PC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2	121.0900	0.205	2	121.0900	0.042	2	120.7333	0.403	3	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-3:	C[6a](C[6a]C[6a]C)2(PGe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(GeSi2)	C[6a](C[6a]C[6a]C)2(PGe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(GeSi2)	120.8175	0.494	2	120.8175	0.244	2	120.8175	0.244	2	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-3:	C[6a](C[6a]C[6a]C)2(PSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(SiC[6a]C[5])	C[6a](C[6a]C[6a]C)2(PSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(SiC[6a]C[5])	121.0755	1.360	2	121.0755	1.849	2	121.0755	1.849	2	120.1920	1.653	114	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CC[6a]ThN)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[6a]ThN)	120.9995	3.293	2	120.9995	10.844	2	120.5631	4.924	8	120.5274	4.002	10	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(CCNU)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CCNU)	120.3340	4.046	2	120.3340	16.371	2	120.5631	4.924	8	120.5274	4.002	10	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(CC[6]NU)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[6]NU)	120.6215	2.082	2	120.6215	4.337	2	120.5631	4.924	8	120.5274	4.002	10	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(PC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(CC[6a]NU)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[6a]NU)	120.2975	1.511	2	120.2975	2.283	2	120.5631	4.924	8	120.5274	4.002	10	120.7085	10.092	239	120.7145	9.990	245
643	643	940	0:SP2_SP-NON_SP2	C[6a]	C[6a]	P	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(PSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(SiC[5]Cl2)	C[6a](C[6a]C[6a]C)2(PSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(SiC[5]Cl2)	120.3845	1.223	2	120.3845	1.495	2	120.3845	1.495	2	120.5274	4.002	10	120.7085	10.092	239	120.7145	9.990	245
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	N	3:3:2:	3:4:3:	3:1:	C[6,6,6a]-3:C[6a]-3:N-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	N(C[6a]C[6,6,6a]C[6a])(C)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|N<3>,2|H<1>,5|C<3>}	N(C[6a]C[6,6,6a]C[6a])(C)	121.8360	0.000	1	121.8360	0.000	1	121.8360	0.000	1	121.8360	0.000	1	121.8360	0.000	1	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:2:	3:3:2:	3:2:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:N-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(NN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(O[6]C[6])	N(C[6a]C[6,6a]C[6a])(NC[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(O[6]C[6]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(NC[6a])	114.3010	0.000	1	114.3010	0.000	1	114.3010	0.000	1	114.3010	0.000	1	118.6726	8.979	20	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	117.7980	1.913	2	117.9253	1.413	4	117.7580	1.260	7	117.7580	1.260	7	118.6726	8.979	20	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	118.0525	0.716	2	117.9253	1.413	4	117.7580	1.260	7	117.7580	1.260	7	118.6726	8.979	20	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	N(C[6a]C[6,6a]C[6a])(CNO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	N(C[6a]C[6,6a]C[6a])(CNO)	116.1090	0.000	1	117.5350	1.531	3	117.7580	1.260	7	117.7580	1.260	7	118.6726	8.979	20	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	N(C[6a]C[6,6a]C[6a])(CNO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){2|H<1>,3|C<3>,3|C<4>}	N(C[6a]C[6,6a]C[6a])(CNO)	118.2480	0.105	2	117.5350	1.531	3	117.7580	1.260	7	117.7580	1.260	7	118.6726	8.979	20	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(H)	122.9740	0.000	1	122.9740	0.000	1	122.9740	0.000	1	122.7800	0.075	2	118.6726	8.979	20	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(H)	122.5860	0.000	1	122.5860	0.000	1	122.5860	0.000	1	122.7800	0.075	2	118.6726	8.979	20	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NC)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(CS)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NC){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(CS)	116.3470	0.000	1	116.3470	0.000	1	116.3470	0.000	1	116.3470	0.000	1	118.6726	8.979	20	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]2)	120.6665	1.757	2	120.6665	3.088	2	120.6665	3.088	2	119.3483	15.330	7	118.6726	8.979	20	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]C)	N(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(CCO)	120.5040	0.000	1	120.5040	0.000	1	120.5040	0.000	1	119.3483	15.330	7	118.6726	8.979	20	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(NC[6a])	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	121.1595	5.878	2	121.1595	34.553	2	121.1595	34.553	2	119.3483	15.330	7	118.6726	8.979	20	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]2)	115.6410	3.934	2	115.6410	15.479	2	115.6410	15.479	2	119.3483	15.330	7	118.6726	8.979	20	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NS){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)	120.1010	0.000	1	120.1010	0.000	1	120.1010	0.000	1	120.1010	0.000	1	118.6726	8.979	20	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	118.6726	8.979	20	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:2:	3:3:3:	3:1:	C[6a,6a]-3:N[6a]-2:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NH)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:2:	3:3:3:	3:2:	C[6a,6a]-3:N[6a]-2:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NO)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NO){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]N[6a])(OH)	120.5880	0.000	1	120.5880	0.000	1	120.5880	0.000	1	120.5880	0.000	1	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NC[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	116.7290	0.486	2	116.7290	0.237	2	116.7290	0.237	2	119.0552	5.941	5	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	118.7830	0.000	1	119.8995	2.493	2	119.8995	2.493	2	119.0552	5.941	5	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	121.0160	0.000	1	119.8995	2.493	2	119.8995	2.493	2	119.0552	5.941	5	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:O[6a]-2:N-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(O[6a]C[6a])(NC[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]O[6a]N)	N(C[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(O[6a]C[6a])(NC[6a]){1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]O[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	119.0552	5.941	5	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|I<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)	118.9240	0.000	1	118.9240	0.000	1	118.9240	0.000	1	118.9240	0.000	1	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)	114.2548	0.758	5	114.2548	0.574	5	115.7544	12.140	14	115.7544	12.140	14	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)	116.1250	0.000	1	116.1250	0.000	1	115.7544	12.140	14	115.7544	12.140	14	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5]O)	114.6040	1.486	2	114.6040	2.209	2	115.7544	12.140	14	115.7544	12.140	14	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)	114.4470	0.000	1	114.4470	0.000	1	115.7544	12.140	14	115.7544	12.140	14	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]C)	118.9400	0.000	1	118.9400	0.000	1	115.7544	12.140	14	115.7544	12.140	14	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	126.8510	0.000	1	126.8510	0.000	1	115.7544	12.140	14	115.7544	12.140	14	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)	114.6980	0.099	2	114.6980	0.010	2	115.7544	12.140	14	115.7544	12.140	14	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CNO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CNO)	114.3210	0.000	1	114.3210	0.000	1	115.7544	12.140	14	115.7544	12.140	14	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:N-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C)	119.1350	0.000	1	119.1350	0.000	1	119.1350	0.000	1	119.9867	0.565	3	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1	119.9867	0.565	3	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:N[6a]-3:N-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NH)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)	120.5580	0.000	1	120.5580	0.000	1	120.5580	0.000	1	119.9867	0.565	3	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:N-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(NO)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]2)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(NO){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	N(C[6a]C[6a,6a]2)(OC)	113.5830	0.000	1	113.5830	0.000	1	113.5830	0.000	1	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(NO)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(OC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(NO){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	N(C[6a]C[6a,6a]2)(OC)	129.7440	0.000	1	129.7440	0.000	1	129.7440	0.000	1	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(NN)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(NN){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	114.1510	0.000	1	114.1510	0.000	1	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NN)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NN){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	116.2990	0.000	1	116.2990	0.000	1	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[5])	115.7790	0.004	2	115.7790	0.000	2	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[5a])	115.0960	0.000	1	115.0960	0.000	1	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	115.8280	0.554	2	115.5937	0.215	7	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	115.3325	0.227	2	115.5937	0.215	7	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	116.2880	0.000	1	115.5937	0.215	7	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	115.2735	0.018	2	115.5937	0.215	7	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	118.1720	0.000	1	118.1720	0.000	1	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	115.9810	0.000	1	116.1680	0.070	2	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	116.3550	0.000	1	116.1680	0.070	2	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(NN)	115.7170	0.000	1	115.7170	0.000	1	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NN){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(NN)	117.3910	0.000	1	117.3910	0.000	1	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[5a])	116.8720	1.708	2	116.8720	2.919	2	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6])	113.7120	0.000	1	113.7120	0.000	1	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	115.5258	0.721	5	115.5258	0.520	5	115.7984	1.066	25	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NO)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NO){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>,2|N<2>}	N(C[6a]C[6a,6a]C[6a])(OH)	120.4920	9.926	2	120.4920	98.533	2	120.4920	98.533	2	116.5266	12.578	29	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a,6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(C[5]N[5]S[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[5]){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]2)(C[5]N[5]S[5])	120.0315	0.523	2	120.0315	0.273	2	120.0315	0.273	2	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a,6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	122.3915	5.180	4	122.3915	26.831	4	122.3915	26.831	4	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	117.6699	0.543	8	117.6699	0.295	8	117.9447	0.938	9	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CNS)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNS)	120.1430	0.000	1	120.1430	0.000	1	117.9447	0.938	9	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	123.6346	4.639	8	123.6346	21.521	8	123.6346	21.521	8	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	116.7900	0.000	1	116.7900	0.000	1	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N){2|C<4>,2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	122.1650	0.000	1	122.1650	0.000	1	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCC)	118.5470	1.179	2	118.5470	1.391	2	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5]H)	116.3230	0.000	1	116.3230	0.000	1	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]2)	117.9715	1.288	2	117.9715	1.658	2	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N){4|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]2)	120.8020	0.055	2	120.8020	0.003	2	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCC)	117.5330	0.000	1	117.5330	0.000	1	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCH)	116.8645	0.786	4	116.8645	0.618	4	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5]H)	117.7540	0.793	4	117.7540	0.629	4	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	116.9220	0.000	1	117.0313	0.021	3	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	117.0860	0.156	2	117.0313	0.021	3	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6]H)	116.7570	0.000	1	115.5560	1.350	3	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6]H)	114.9555	0.732	2	115.5560	1.350	3	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]Co)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]Co)	118.1970	0.000	1	118.1970	0.000	1	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	116.7070	0.000	1	117.3404	0.435	36	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	117.4664	0.854	5	117.3404	0.435	36	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	117.3405	0.639	30	117.3404	0.435	36	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CNO)	116.8770	0.000	1	116.8770	0.000	1	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CNS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CNS)	116.0990	0.000	1	116.0990	0.000	1	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	121.3330	0.000	1	121.3330	0.000	1	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	117.3410	0.000	1	117.3410	0.000	1	117.5044	1.644	65	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])	118.4710	0.612	2	118.4710	0.375	2	121.5525	4.606	8	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)	122.5797	1.144	6	122.5797	1.308	6	121.5525	4.606	8	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5a]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	118.9290	0.000	1	118.9290	0.000	1	118.8695	0.007	2	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5a]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])	118.8100	0.000	1	118.8100	0.000	1	118.8695	0.007	2	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6]){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]N)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	121.3830	0.000	1	121.3830	0.000	1	121.3830	0.000	1	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	123.8805	5.408	6	123.8805	29.248	6	123.3148	27.110	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>,2|N<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	123.7155	5.343	4	123.7155	28.551	4	123.3148	27.110	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]){1|H<1>,1|O<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	116.5020	0.000	1	116.5020	0.000	1	123.3148	27.110	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	128.3610	0.000	1	128.3610	0.000	1	123.3148	27.110	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])2	128.7540	0.000	1	128.7540	0.000	1	123.3148	27.110	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	120.7170	0.000	1	120.7170	0.000	1	123.3148	27.110	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])2	117.2430	0.000	1	117.2430	0.000	1	123.3148	27.110	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]O)	113.6840	0.000	1	113.6840	0.000	1	114.2628	1.059	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6]Ir)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6]Ir)	114.4770	1.208	2	114.4770	1.459	2	114.2628	1.059	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6]Re)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6]Re)	113.1730	0.000	1	113.1730	0.000	1	114.2628	1.059	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a]Li)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]Li)	113.7770	0.000	1	113.7770	0.000	1	114.2628	1.059	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a]Mg)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]Mg)	113.6640	0.000	1	113.6640	0.000	1	114.2628	1.059	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a]Ni)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]Ni)	115.4077	1.131	4	115.4077	1.278	4	114.2628	1.059	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a]Pd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]Pd)	113.9690	0.647	3	113.9690	0.419	3	114.2628	1.059	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a]Rh)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]Rh)	113.7090	0.000	1	113.7090	0.000	1	114.2628	1.059	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a]Ru)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]Ru)	113.4430	0.000	1	113.4430	0.000	1	114.2628	1.059	15	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NO)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(ONi2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NO){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(ONi2)	115.0335	0.933	2	115.0335	0.870	2	115.0335	0.870	2	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6a]-3:N-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NC[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	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>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	118.9060	0.000	1	118.9060	0.000	1	118.9060	0.000	1	118.6528	14.017	132	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:N-2:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	120.7698	0.433	4	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCHH)	121.4870	0.000	1	121.4870	0.000	1	121.4870	0.000	1	120.7698	0.433	4	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(PN3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(PN3)	120.8950	0.000	1	120.8950	0.000	1	120.8495	0.004	2	120.7698	0.433	4	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(PN[5]2N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(PN[5]2N)	120.8040	0.000	1	120.8040	0.000	1	120.8495	0.004	2	120.7698	0.433	4	118.2175	13.868	190	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:2:	2:3:2:	3:3:	N[6a]-2:C[6a]-3:N-2:	N[6a]-2:C[6a]-3:S-2:	C[6a]-3:S-3:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]S)(NS)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(SCl)	N(C[6a]C[6a]N[6a])(SCl2)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]S)(NS){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(SCl){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(SCl2)	113.2460	0.000	1	113.2460	0.000	1	113.2460	0.000	1	113.2460	0.000	1	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:2:	3:3:1:	3:2:	N[6a]-2:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NN){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(NN)	114.7060	0.000	1	114.7060	0.000	1	115.9314	13.589	19	115.9314	13.589	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:2:	3:3:1:	3:2:	N[6a]-2:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(NC[6a])	123.1560	0.000	1	123.1560	0.000	1	115.9314	13.589	19	115.9314	13.589	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:2:	3:3:1:	3:2:	N[6a]-2:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(NC[6a])	120.0657	4.268	3	120.0657	18.212	3	115.9314	13.589	19	115.9314	13.589	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:2:	3:3:1:	3:2:	N[6a]-2:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NN)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)(H){1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])(NN)	114.6169	2.465	14	114.6169	6.078	14	115.9314	13.589	19	115.9314	13.589	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:2:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)(H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5]){1|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	115.7048	1.125	4	115.7048	1.266	4	115.7048	1.266	4	117.1456	8.506	25	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:2:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5a])	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	115.5031	1.110	11	115.5031	1.233	11	115.7256	1.556	13	117.1456	8.506	25	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:2:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NC[5a])	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	116.9495	1.672	2	116.9495	2.797	2	115.7256	1.556	13	117.1456	8.506	25	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:2:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CCO)	123.1800	0.200	4	123.1800	0.040	4	121.3478	8.120	6	117.1456	8.506	25	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:2:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CNN)	117.6835	0.446	2	117.6835	0.199	2	121.3478	8.120	6	117.1456	8.506	25	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:2:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[5]N[5]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(C[5]N[5]2)	116.6505	0.359	2	116.6505	0.129	2	116.6505	0.129	2	117.1456	8.506	25	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:2:	3:3:4:	3:2:	N[6a]-2:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]C)(NN)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(NN)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]C)(NN){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(CH3){1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])(NN)	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:4:	7:3:	N-2:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3,3,6,6]-7:C[6a]-3:	C[6a](NNb[3,3,6,6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[3,3,6,6]C[3,3,6]N[6]2O[3]2O[6])(C[6a]C[6a]2)	C[6a](NNb[3,3,6,6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[3,3,6,6]C[3,3,6]N[6]2O[3]2O[6])(C[6a]C[6a]2)	119.8850	0.341	4	119.8850	0.116	4	119.8850	0.116	4	119.8850	0.116	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:2:1:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)	123.2030	0.000	1	123.2030	0.000	1	123.2030	0.000	1	122.5065	0.970	2	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:2:1:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)	121.8100	0.000	1	121.8100	0.000	1	121.8100	0.000	1	122.5065	0.970	2	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:2:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)	123.9840	0.000	1	123.9840	0.000	1	119.3357	9.672	4	119.3357	9.672	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:2:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(CC[5]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[5]H)	117.7710	0.000	1	117.7710	0.000	1	119.3357	9.672	4	119.3357	9.672	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:2:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	117.7940	0.455	2	117.7940	0.207	2	119.3357	9.672	4	119.3357	9.672	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:2:2:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:S-4:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)	118.6850	0.000	1	120.0230	3.580	2	120.0230	3.580	2	120.0230	3.580	2	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:2:2:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:S-4:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)	121.3610	0.000	1	120.0230	3.580	2	120.0230	3.580	2	120.0230	3.580	2	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)	123.1135	0.493	2	123.1135	0.243	2	123.3727	0.323	3	122.4463	2.467	10	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br){1|C<3>}	N(C[6a]C[6a]N[6a])(H)	123.8910	0.000	1	123.8910	0.000	1	123.3727	0.323	3	122.4463	2.467	10	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)	121.4720	0.000	1	121.4720	0.000	1	121.4720	0.000	1	122.4463	2.467	10	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)	121.5625	0.556	2	121.5625	0.310	2	121.5625	0.310	2	122.4463	2.467	10	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)	124.3065	0.097	2	123.4077	2.428	3	122.4370	5.388	4	122.4463	2.467	10	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)	121.6100	0.000	1	123.4077	2.428	3	122.4370	5.388	4	122.4463	2.467	10	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)	119.5250	0.000	1	119.5250	0.000	1	122.4370	5.388	4	122.4463	2.467	10	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a])	119.7630	0.000	1	119.7630	0.000	1	119.7630	0.000	1	121.7754	10.183	17	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	122.4110	0.000	1	122.4110	0.000	1	121.9012	10.575	16	121.7754	10.183	17	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	122.8910	0.000	1	123.6105	1.035	2	121.9012	10.575	16	121.7754	10.183	17	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(NC[6a])	124.3300	0.000	1	123.6105	1.035	2	121.9012	10.575	16	121.7754	10.183	17	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	124.2200	0.000	1	124.4025	0.125	6	121.9012	10.575	16	121.7754	10.183	17	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(NC[6a])	124.0220	0.000	1	124.4025	0.125	6	121.9012	10.575	16	121.7754	10.183	17	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	124.3435	0.183	2	124.4025	0.125	6	121.9012	10.575	16	121.7754	10.183	17	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(NC[6a])	124.4490	0.000	1	124.4025	0.125	6	121.9012	10.575	16	121.7754	10.183	17	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	125.0370	0.000	1	124.4025	0.125	6	121.9012	10.575	16	121.7754	10.183	17	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NRe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NRe)	119.4740	3.431	6	119.1960	10.350	7	121.9012	10.575	16	121.7754	10.183	17	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NRe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(NRe)	117.5280	0.000	1	119.1960	10.350	7	121.9012	10.575	16	121.7754	10.183	17	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(Br)	N(C[6a]C[6a]N[6a])(CC[6a]C)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]C)	118.0070	0.000	1	118.0070	0.000	1	118.0070	0.000	1	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	119.3950	0.000	1	119.4985	0.021	2	119.4985	0.021	2	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	119.6020	0.000	1	119.4985	0.021	2	119.4985	0.021	2	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	118.2661	1.574	11	117.3464	6.682	19	117.2061	6.269	21	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	120.0915	0.534	2	117.3464	6.682	19	117.2061	6.269	21	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	113.1943	0.673	4	117.3464	6.682	19	117.2061	6.269	21	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	117.8470	0.134	2	117.3464	6.682	19	117.2061	6.269	21	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	115.8735	1.091	2	115.8735	1.190	2	117.2061	6.269	21	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6]C[5a,6]N[6])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6]C[5a,6]N[6])(C[6a]C[6a]N[6a])	119.4960	0.000	1	119.4960	0.000	1	119.4960	0.000	1	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CCC)	118.2550	0.000	1	118.2550	0.000	1	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	117.5023	0.271	3	117.5023	0.073	3	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|C<7>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]N)	118.4990	0.000	1	118.4990	0.000	1	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCN)	118.4805	0.957	2	118.4805	0.915	2	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)	124.5305	0.105	2	124.4880	0.156	7	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CCO)	124.2827	0.119	3	124.4880	0.156	7	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)	124.7535	0.793	2	124.4880	0.156	7	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[5]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[5]O)	124.3980	0.000	1	124.3980	0.000	1	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]H)	117.2710	0.000	1	117.2710	0.000	1	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]O)	124.5265	0.766	4	124.5265	0.587	4	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	117.8670	0.000	1	118.5681	5.614	19	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	119.9305	0.535	2	118.5681	5.614	19	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	119.7557	3.955	6	118.5681	5.614	19	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	117.7213	0.332	3	118.5681	5.614	19	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	117.6077	0.207	4	118.5681	5.614	19	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|O<2>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	117.6453	0.758	3	118.5681	5.614	19	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]N)	122.0670	0.000	1	122.0670	0.000	1	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)	123.3437	0.802	3	123.1568	0.569	4	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)	122.5960	0.000	1	123.1568	0.569	4	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]S)	116.5940	0.000	1	116.5940	0.000	1	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHN)	119.4870	0.000	1	121.8222	2.429	4	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHN)	122.6007	0.089	3	121.8222	2.429	4	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CSS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CSS)	122.3840	0.000	1	122.3840	0.000	1	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|Cl<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CHN)	118.8620	0.000	1	118.8620	0.000	1	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CC[6a]N)	116.3930	0.000	1	116.3930	0.000	1	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|N<2>,1|O<2>,1|S<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CCC)	117.9680	0.000	1	117.9680	0.000	1	120.4602	9.866	53	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[5]N[5]S[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[5]N[5]S[5])	123.8865	0.153	2	123.8865	0.024	2	123.8865	0.024	2	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[5,6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[5,6]N[6])	123.4600	0.000	1	123.4600	0.000	1	118.9142	9.567	4	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])	117.3990	0.758	3	117.3990	0.575	3	118.9142	9.567	4	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	117.9110	0.000	1	117.9110	0.000	1	119.8407	7.399	6	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	117.4260	0.000	1	117.4260	0.000	1	119.8407	7.399	6	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2	121.2210	3.293	3	120.9267	7.573	4	119.8407	7.399	6	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])2	120.0440	0.000	1	120.9267	7.573	4	119.8407	7.399	6	119.6077	10.172	90	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)	121.7720	0.000	1	121.7720	0.000	1	121.7720	0.000	1	122.9604	11.204	15	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	122.9604	11.204	15	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PC[6a]2C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2C)	118.9960	0.000	1	118.9960	0.000	1	120.7162	7.356	6	122.9604	11.204	15	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(PC[6a]3)	119.1330	0.000	1	118.9905	0.041	2	120.7162	7.356	6	122.9604	11.204	15	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(PC[6a]3)	118.8480	0.000	1	118.9905	0.041	2	120.7162	7.356	6	122.9604	11.204	15	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PN3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PN3)	125.9900	0.000	1	125.9900	0.000	1	120.7162	7.356	6	122.9604	11.204	15	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(PC[6a]3)	120.6200	0.000	1	120.6650	0.004	2	120.7162	7.356	6	122.9604	11.204	15	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|N<3>,1|O<1>,1|S<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(PC[6a]3)	120.7100	0.000	1	120.6650	0.004	2	120.7162	7.356	6	122.9604	11.204	15	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)	123.0555	0.552	2	125.0660	9.294	6	125.2784	8.061	7	122.9604	11.204	15	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)	127.5510	1.970	3	125.0660	9.294	6	125.2784	8.061	7	122.9604	11.204	15	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)	121.6320	0.000	1	125.0660	9.294	6	125.2784	8.061	7	122.9604	11.204	15	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NS){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)	126.5530	0.000	1	126.5530	0.000	1	125.2784	8.061	7	122.9604	11.204	15	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:2:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)	120.2970	0.000	1	120.2970	0.000	1	120.2970	0.000	1	121.1307	0.527	3	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:2:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NH)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)	121.6250	0.000	1	121.6250	0.000	1	121.6250	0.000	1	121.1307	0.527	3	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:2:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NH){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)	121.4700	0.000	1	121.4700	0.000	1	121.4700	0.000	1	121.1307	0.527	3	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:2:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NN)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NN){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	N(C[6a]C[6a]N[6a])(NC[6a])	115.2190	0.000	1	115.2190	0.000	1	115.2190	0.000	1	115.2190	0.000	1	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	118.7360	0.000	1	118.7360	0.000	1	118.7360	0.000	1	117.1373	4.372	3	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	N(C[6a]C[6a]N[6a])(C[5]N[5]S[5])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[5]N[5]S[5])	114.7710	0.000	1	114.7710	0.000	1	114.7710	0.000	1	117.1373	4.372	3	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	N(C[6a]C[6a]N[6a])(C[6]N[6]S[6])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]N[6]S[6])	117.9050	0.000	1	117.9050	0.000	1	117.9050	0.000	1	117.1373	4.372	3	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	N(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CCHH)	120.4150	0.000	1	120.4150	0.000	1	120.4150	0.000	1	120.4150	0.000	1	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.0190	0.000	1	119.0190	0.000	1	119.5130	1.037	5	120.7677	10.274	6	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){2|Cl<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.2540	0.585	2	119.2540	0.343	2	119.5130	1.037	5	120.7677	10.274	6	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.8120	0.000	1	118.8120	0.000	1	119.5130	1.037	5	120.7677	10.274	6	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]N[6a]N)2(COO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(COO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	121.2260	0.000	1	121.2260	0.000	1	119.5130	1.037	5	120.7677	10.274	6	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	127.0410	0.000	1	127.0410	0.000	1	127.0410	0.000	1	120.7677	10.274	6	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)	121.2270	0.000	1	121.2270	0.000	1	121.2270	0.000	1	121.2270	0.000	1	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:4:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CCHH)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CCHH){3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]N)	116.6315	1.071	2	116.6315	1.148	2	116.6315	1.148	2	117.5280	2.985	3	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:4:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NC){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)	119.3210	0.000	1	119.3210	0.000	1	119.3210	0.000	1	117.5280	2.985	3	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:2:	3:3:4:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	C[6a](C[6a]N[6a]N)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(CHHN){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)	121.7785	0.585	2	121.7785	0.342	2	121.7785	0.342	2	121.7785	0.342	2	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	2:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NC){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	123.7600	0.000	1	123.7600	0.000	1	123.7600	0.000	1	117.6610	43.194	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	2:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){3|C<3>}	N(C[6a]C[6a]2)(CC[5a]C)	111.2280	0.000	1	111.2280	0.000	1	115.6280	39.992	3	117.6610	43.194	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	2:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){3|C<3>}	N(C[6a]C[6a]2)(CC[6a]C)	112.7810	0.000	1	112.7810	0.000	1	115.6280	39.992	3	117.6610	43.194	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	2:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NC)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NC){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.8750	0.000	1	122.8750	0.000	1	115.6280	39.992	3	117.6610	43.194	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	2:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(NN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(NN){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)(CH3){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NC[6a])	114.8400	0.798	2	114.8400	0.636	2	114.8400	0.636	2	114.8400	0.636	2	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)	123.4785	0.125	2	123.4785	0.016	2	123.4785	0.016	2	123.2677	0.141	3	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)	122.8460	0.000	1	122.8460	0.000	1	122.8460	0.000	1	123.2677	0.141	3	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.4970	0.000	1	117.3832	13.742	15	117.7533	15.018	16	117.7533	15.018	16	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.6912	3.906	13	117.3832	13.742	15	117.7533	15.018	16	117.7533	15.018	16	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	115.2660	0.000	1	117.3832	13.742	15	117.7533	15.018	16	117.7533	15.018	16	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	123.3050	0.000	1	123.3050	0.000	1	117.7533	15.018	16	117.7533	15.018	16	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.5920	0.000	1	118.5920	0.000	1	118.5920	0.000	1	120.3215	15.151	47	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<4>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(C[5]N[5]2)	125.0630	0.000	1	125.0630	0.000	1	125.0630	0.000	1	120.3215	15.151	47	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	120.0000	5.370	2	120.0000	28.834	2	120.2546	15.256	45	120.3215	15.151	47	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	125.0503	0.042	3	119.1454	13.332	31	120.2546	15.256	45	120.3215	15.151	47	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.5127	3.244	28	119.1454	13.332	31	120.2546	15.256	45	120.3215	15.151	47	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	121.2212	2.639	4	121.2212	6.965	4	120.2546	15.256	45	120.3215	15.151	47	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)	121.9770	0.000	1	121.9770	0.000	1	120.2546	15.256	45	120.3215	15.151	47	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)	117.9160	0.000	1	117.9160	0.000	1	120.2546	15.256	45	120.3215	15.151	47	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	125.4310	1.113	3	125.6984	0.848	5	120.2546	15.256	45	120.3215	15.151	47	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	126.0995	0.613	2	125.6984	0.848	5	120.2546	15.256	45	120.3215	15.151	47	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(NC){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	124.6790	0.000	1	124.6790	0.000	1	120.2546	15.256	45	120.3215	15.151	47	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)	123.0470	0.000	1	123.0470	0.000	1	123.0470	0.000	1	123.0470	0.000	1	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NH)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)	118.0730	0.000	1	118.0730	0.000	1	118.0730	0.000	1	119.4186	22.541	33	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)	118.0180	0.000	1	117.4438	0.197	19	119.4606	23.208	32	119.4186	22.541	33	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>}	N(C[6a]C[6a]2)(O)	117.3905	0.015	2	117.4438	0.197	19	119.4606	23.208	32	119.4186	22.541	33	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(O)	117.4146	0.461	16	117.4438	0.197	19	119.4606	23.208	32	119.4186	22.541	33	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(NO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(O)	115.1170	0.000	1	115.1170	0.000	1	119.4606	23.208	32	119.4186	22.541	33	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]O)2(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]O)2(NO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)	123.0158	6.523	12	123.0158	42.552	12	119.4606	23.208	32	119.4186	22.541	33	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.3090	0.000	1	116.3090	0.000	1	116.3090	0.000	1	121.9843	41.453	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]2)	118.3490	0.000	1	118.3490	0.000	1	124.6035	78.238	2	121.9843	41.453	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	130.8580	0.000	1	130.8580	0.000	1	124.6035	78.238	2	121.9843	41.453	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[5]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|Cl<1>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)(C[5]N[5]2)	122.4210	0.000	1	122.4210	0.000	1	122.4210	0.000	1	121.9843	41.453	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(O)	128.1010	0.501	2	127.9162	0.264	15	127.1033	5.428	47	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)	127.9626	0.476	12	127.9162	0.264	15	127.1033	5.428	47	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	N(C[6a]C[6a]2)(O)	126.9900	0.000	1	127.9162	0.264	15	127.1033	5.428	47	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)	127.9905	0.677	4	127.9905	0.459	4	127.1033	5.428	47	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)	127.7850	0.000	1	127.3083	0.219	24	127.1033	5.428	47	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	N(C[6a]C[6a]2)(O)	126.6950	0.000	1	127.3083	0.219	24	127.1033	5.428	47	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	N(C[6a]C[6a]2)(O)	126.5850	0.024	2	127.3083	0.219	24	127.1033	5.428	47	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(O)	127.4561	0.433	16	127.3083	0.219	24	127.1033	5.428	47	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(O)	127.0695	0.255	2	127.3083	0.219	24	127.1033	5.428	47	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>}	N(C[6a]C[6a]2)(O)	127.1570	0.079	2	127.3083	0.219	24	127.1033	5.428	47	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)2(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)2(NO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(O)	121.9010	8.525	2	121.9010	72.674	2	127.1033	5.428	47	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)2(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)2(NO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(O)	121.9740	6.790	2	121.9740	46.099	2	127.1033	5.428	47	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(NO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(O)	128.6750	0.000	1	128.6750	0.000	1	123.5340	45.675	3	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N[6])2(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N[6])2(NO){1|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N(C[6a]C[6a]2)(O)	120.9635	7.191	2	120.9635	51.704	2	123.5340	45.675	3	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:1:	N[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH)	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO)	N(C[6a]N[5a,6a]C[6a])(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH){1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO){1|C<3>,1|N<2>}	N(C[6a]N[5a,6a]C[6a])(H)	131.1690	0.000	1	131.1690	0.000	1	131.1690	0.000	1	126.9731	7.899	51	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[5a])	126.9080	0.000	1	126.9080	0.000	1	126.9633	0.296	3	127.8238	3.159	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	126.9910	0.767	2	126.9910	0.588	2	126.9633	0.296	3	127.8238	3.159	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-2:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(OH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(OH)	130.4050	0.000	1	130.4050	0.000	1	130.4050	0.000	1	127.8238	3.159	4	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	126.4280	0.000	1	126.4280	0.000	1	122.5282	26.368	13	122.5282	26.368	13	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	125.4885	1.474	2	125.4885	2.174	2	122.5282	26.368	13	122.5282	26.368	13	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	124.7540	0.000	1	124.7540	0.000	1	122.5282	26.368	13	122.5282	26.368	13	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	125.4780	0.000	1	125.4780	0.000	1	122.5282	26.368	13	122.5282	26.368	13	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	125.4720	0.000	1	125.4720	0.000	1	122.5282	26.368	13	122.5282	26.368	13	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.5800	0.000	1	117.5800	0.000	1	122.5282	26.368	13	122.5282	26.368	13	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(NC){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.0640	0.000	1	118.0640	0.000	1	122.5282	26.368	13	122.5282	26.368	13	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	118.1540	0.000	1	118.1540	0.000	1	122.5282	26.368	13	122.5282	26.368	13	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]2)	126.9690	0.000	1	126.9690	0.000	1	122.5282	26.368	13	122.5282	26.368	13	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	115.1790	0.000	1	115.1790	0.000	1	122.5282	26.368	13	122.5282	26.368	13	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)2(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]N[6a]N)2(NC){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C)	129.6880	0.000	1	129.6880	0.000	1	122.5282	26.368	13	122.5282	26.368	13	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)2(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]N[6a]N)2(NC){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C)	114.1230	0.000	1	114.1230	0.000	1	122.5282	26.368	13	122.5282	26.368	13	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	N-2:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(NB[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(NB[5x3,5x5,20x6])(C[6a]C[6a]2)	121.7570	0.000	1	121.7570	0.000	1	120.1322	22.184	19	120.1322	22.184	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	N-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	114.3300	0.000	1	114.3300	0.000	1	120.1322	22.184	19	120.1322	22.184	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	N-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	115.0740	0.000	1	115.0740	0.000	1	120.1322	22.184	19	120.1322	22.184	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	N-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(NB[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(NB[5x3,5x5,20x6])(C[6a]C[6a]2)	120.5990	5.482	6	120.4520	25.958	8	120.1322	22.184	19	120.1322	22.184	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	N-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(NB[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(NB[5x3,5x5,20x6])(C[6a]C[6a]2)	120.0110	5.559	2	120.4520	25.958	8	120.1322	22.184	19	120.1322	22.184	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	N-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	124.3650	0.000	1	120.9669	21.333	8	120.1322	22.184	19	120.1322	22.184	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	N-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	123.6220	0.000	1	120.9669	21.333	8	120.1322	22.184	19	120.1322	22.184	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	N-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	119.9880	6.512	2	120.9669	21.333	8	120.1322	22.184	19	120.1322	22.184	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	N-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	120.1840	5.086	2	120.9669	21.333	8	120.1322	22.184	19	120.1322	22.184	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	N-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	119.7020	7.491	2	120.9669	21.333	8	120.1322	22.184	19	120.1322	22.184	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6,6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6,6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6,6a]C[6a])(C)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6,6,6a]C[6a])(C)	119.8710	0.000	1	119.8710	0.000	1	119.8710	0.000	1	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)	118.9590	0.000	1	118.9590	0.000	1	120.0255	2.275	2	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6,6a]C[6a])(H)	121.0920	0.000	1	121.0920	0.000	1	120.0255	2.275	2	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C)	118.3570	0.000	1	118.3570	0.000	1	118.3570	0.000	1	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|S<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)	119.9770	0.000	1	119.9770	0.000	1	121.1125	2.579	2	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(H)	122.2480	0.000	1	122.2480	0.000	1	121.1125	2.579	2	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NH)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,2|O<1>,3|C<3>}	N(C[6a]C[6a]2)(H)	120.1970	0.000	1	120.1970	0.000	1	120.1970	0.000	1	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)	122.3510	0.000	1	122.3510	0.000	1	122.3510	0.000	1	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N(C[6a]C[6a]2)(H)	121.1280	0.000	1	121.1280	0.000	1	120.4270	0.983	2	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)	119.7260	0.000	1	119.7260	0.000	1	120.4270	0.983	2	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]Br)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]Br)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(C)	120.0790	0.000	1	120.1535	0.011	2	120.1535	0.011	2	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]Br)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]Br)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(C)	120.2280	0.000	1	120.1535	0.011	2	120.1535	0.011	2	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)	122.1280	0.000	1	122.1280	0.000	1	122.2813	0.149	3	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)	122.3580	0.513	2	122.3580	0.264	2	122.2813	0.149	3	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]Cl)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(C)	120.3675	0.107	2	120.3675	0.011	2	120.3675	0.011	2	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)	121.7300	0.000	1	121.7300	0.000	1	122.1293	0.601	3	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)	122.3290	0.981	2	122.3290	0.963	2	122.1293	0.601	3	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C)	119.6650	0.000	1	119.6650	0.000	1	119.3649	0.315	8	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C)	120.0790	0.000	1	120.0790	0.000	1	119.3649	0.315	8	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C)	119.2130	0.000	1	119.1958	0.287	6	119.3649	0.315	8	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C)	119.2730	0.000	1	119.1958	0.287	6	119.3649	0.315	8	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C)	119.1723	0.689	4	119.1958	0.287	6	119.3649	0.315	8	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)	119.5780	0.000	1	119.5780	0.000	1	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)	119.3500	0.000	1	119.3500	0.000	1	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(H)	118.3960	0.000	1	118.3960	0.000	1	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)	122.1020	0.000	1	120.8545	3.113	2	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)	119.6070	0.000	1	120.8545	3.113	2	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)	118.9370	0.000	1	118.9370	0.000	1	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<4>}	N(C[6a]C[6a]2)(H)	121.7880	0.000	1	121.7880	0.000	1	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|I<1>,1|N<3>}	N(C[6a]C[6a]2)(H)	118.7600	0.000	1	119.3310	0.652	2	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|I<1>}	N(C[6a]C[6a]2)(H)	119.9020	0.000	1	119.3310	0.652	2	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)	121.0920	0.826	2	121.4284	0.458	5	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)	121.3710	0.000	1	121.4284	0.458	5	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(H)	121.2220	0.000	1	121.4284	0.458	5	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|N<4>}	N(C[6a]C[6a]2)(H)	122.3650	0.000	1	121.4284	0.458	5	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)	119.5270	0.000	1	122.8240	21.740	2	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(H)	126.1210	0.000	1	122.8240	21.740	2	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|N<2>}	N(C[6a]C[6a]2)(H)	124.1660	0.000	1	124.1660	0.000	1	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)	120.6280	0.000	1	120.6280	0.000	1	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)	121.4180	0.000	1	121.0060	1.373	3	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)	120.8000	1.578	2	121.0060	1.373	3	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)	119.2690	0.000	1	119.2690	0.000	1	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)	120.9010	0.000	1	120.6458	0.743	42	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)	120.2318	0.646	6	120.6458	0.743	42	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)	120.4505	0.796	6	120.6458	0.743	42	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)	120.9195	0.409	2	120.6458	0.743	42	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)	120.8015	0.248	2	120.6458	0.743	42	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)	120.9931	0.683	10	120.6458	0.743	42	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)	119.7255	1.200	4	120.6458	0.743	42	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)	121.0054	1.114	8	120.6458	0.743	42	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)	121.1260	0.000	1	120.6458	0.743	42	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)	120.3425	0.438	2	120.6458	0.743	42	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)	120.2810	0.000	1	120.2810	0.000	1	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)	121.4715	0.736	2	121.4715	0.542	2	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)	122.2690	0.000	1	122.2690	0.000	1	120.7486	1.603	68	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(N)	115.3050	0.209	2	115.3050	0.044	2	118.3155	24.969	31	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(N)	116.4570	0.000	1	116.4570	0.000	1	118.3155	24.969	31	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|S<6>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N)	117.3270	0.000	1	118.5795	14.713	23	118.3155	24.969	31	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(N)	116.9787	0.773	4	118.5795	14.713	23	118.3155	24.969	31	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(N)	117.4870	0.387	2	118.5795	14.713	23	118.3155	24.969	31	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(N)	117.7110	0.698	4	118.5795	14.713	23	118.3155	24.969	31	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(N)	121.4740	15.430	2	118.5795	14.713	23	118.3155	24.969	31	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N)	119.8157	2.419	6	118.5795	14.713	23	118.3155	24.969	31	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(N)	118.6068	1.805	4	118.5795	14.713	23	118.3155	24.969	31	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|S<6>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N)	115.9250	0.000	1	115.9250	0.000	1	118.3155	24.969	31	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(NN){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(N)	119.3650	11.431	4	119.3650	130.674	4	118.3155	24.969	31	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NO){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)	121.6065	0.223	2	121.6065	0.050	2	120.5767	14.305	17	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)	122.6180	0.000	1	122.6180	0.000	1	120.5767	14.305	17	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)	119.5690	5.882	2	120.2838	17.026	14	120.5767	14.305	17	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)	120.5999	4.753	8	120.2838	17.026	14	120.5767	14.305	17	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)	119.3660	4.592	2	120.2838	17.026	14	120.5767	14.305	17	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)	120.6520	1.939	2	120.2838	17.026	14	120.5767	14.305	17	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]I)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]I)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	N(C[6a]C[6a]2)(C)	119.7410	0.000	1	119.7410	0.000	1	119.7410	0.000	1	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)	122.9620	0.000	1	123.0560	0.018	2	123.0560	0.018	2	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)	123.1500	0.000	1	123.0560	0.018	2	123.0560	0.018	2	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(O)	114.7540	0.000	1	114.1257	0.200	21	114.2010	0.271	25	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)	114.6540	0.000	1	114.1257	0.200	21	114.2010	0.271	25	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	N(C[6a]C[6a]2)(O)	113.8490	0.305	2	114.1257	0.200	21	114.2010	0.271	25	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(O)	114.1451	0.386	16	114.1257	0.200	21	114.2010	0.271	25	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<3>,2|N<2>}	N(C[6a]C[6a]2)(O)	113.2120	0.000	1	114.1257	0.200	21	114.2010	0.271	25	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(O)	114.5960	0.765	4	114.5960	0.585	4	114.2010	0.271	25	119.3167	12.024	172	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[5,6a]C[6a])(CN)	125.3330	0.000	1	125.3330	0.000	1	125.3330	0.000	1	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(NC[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(NN){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5,6a]C[6a])(NC[6a])	123.9815	1.784	2	123.9815	3.183	2	122.9523	4.769	3	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(NC[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NN){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[5,6a]C[6a])(NC[6a])	120.8940	0.000	1	120.8940	0.000	1	122.9523	4.769	3	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(NN)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NN){2|N<2>,2|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(NN)	125.9700	0.000	1	125.9700	0.000	1	125.9700	0.000	1	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H)	N(C[6a]C[6,6a]C[6a])(CS)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CS)	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(NN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(NN){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	124.5370	0.000	1	124.5370	0.000	1	124.5370	0.000	1	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	123.8005	0.006	2	123.8005	0.000	2	123.8881	1.239	14	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[5])	123.7345	0.332	2	123.7345	0.110	2	123.8881	1.239	14	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[5a])	124.0390	0.000	1	124.0390	0.000	1	123.8881	1.239	14	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	121.0130	0.000	1	123.9244	2.272	8	123.8881	1.239	14	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	124.0650	0.000	1	123.9244	2.272	8	123.8881	1.239	14	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	124.0220	0.000	1	123.9244	2.272	8	123.8881	1.239	14	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	123.3950	0.242	2	123.9244	2.272	8	123.8881	1.239	14	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	125.7450	0.378	2	123.9244	2.272	8	123.8881	1.239	14	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	124.0150	0.000	1	123.9244	2.272	8	123.8881	1.239	14	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)(H)	N(C[6a]C[6a,6a]C[6a])(NN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NN)	123.9290	0.000	1	123.9290	0.000	1	123.8881	1.239	14	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(CN)	123.1710	0.721	2	123.1710	0.520	2	123.1710	0.520	2	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NN)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NN){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(NC[6a])	123.5390	0.000	1	123.5390	0.000	1	123.5390	0.000	1	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	N(C[6a]C[6a]2)(NC[6a])	125.3285	0.342	2	122.1267	30.814	3	122.1267	30.814	3	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NN){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.7230	0.000	1	122.1267	30.814	3	122.1267	30.814	3	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CPt)	118.5790	2.220	2	118.5790	4.930	2	118.5790	4.930	2	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OH)	121.9400	0.000	1	121.9400	0.000	1	121.9400	0.000	1	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CN)	118.1480	0.000	1	118.1480	0.000	1	118.1480	0.000	1	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(NN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(Br){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(NC[6a])	118.1087	0.856	6	118.1087	0.732	6	118.9796	7.973	27	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(NN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(NC[6a])	118.3777	1.045	6	118.3777	1.091	6	118.9796	7.973	27	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)	121.0650	0.000	1	121.0650	0.000	1	118.9796	7.973	27	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5a])	118.0460	0.000	1	118.0460	0.000	1	118.9796	7.973	27	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])	119.4050	0.000	1	119.4050	0.000	1	118.9796	7.973	27	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.6130	0.000	1	117.6130	0.000	1	118.9796	7.973	27	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	117.8822	0.196	4	117.7712	0.090	5	118.9796	7.973	27	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NN)	117.3270	0.000	1	117.7712	0.090	5	118.9796	7.973	27	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Br)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(NC)	121.7750	9.868	2	121.7750	97.385	2	118.9796	7.973	27	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Br)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(NC[6a])	121.4515	5.291	2	121.4515	27.998	2	118.9796	7.973	27	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Br)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(NN)	121.0470	3.840	2	121.0470	14.742	2	118.9796	7.973	27	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C){1|C<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CPt)	118.0515	0.599	4	118.0515	0.359	4	118.0515	0.359	4	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPd)	119.4000	0.000	1	119.4000	0.000	1	120.6748	7.825	12	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CN)	118.1460	0.000	1	118.1460	0.000	1	120.6748	7.825	12	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)2(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]Cl)2(NC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CN)	122.3150	8.195	2	122.3150	67.164	2	120.6748	7.825	12	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CRe)	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CRe)	120.7403	0.884	8	120.7403	0.782	8	120.6748	7.825	12	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	118.7380	0.000	1	118.7380	0.000	1	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.0440	0.000	1	117.0440	0.000	1	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)	117.1600	0.000	1	117.1600	0.000	1	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])	117.8855	1.061	2	117.8855	1.127	2	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	116.8110	0.000	1	117.4848	0.101	13	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.5847	0.251	3	117.4848	0.101	13	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	118.0380	0.000	1	117.4848	0.101	13	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	117.3170	0.078	2	117.4848	0.101	13	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.5110	0.217	6	117.4848	0.101	13	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NN)	118.6273	0.555	4	118.6273	0.308	4	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)	121.7825	1.737	2	121.7825	3.018	2	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])	121.1827	1.893	4	121.1827	3.582	4	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	122.6720	0.000	1	121.1270	15.441	19	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(NC[6a])	121.3805	5.932	2	121.1270	15.441	19	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.9988	4.000	16	121.1270	15.441	19	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(NN)	121.2035	6.970	2	121.2035	48.580	2	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)2(NN)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	118.1000	0.000	1	118.1000	0.000	1	119.6148	10.119	50	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(NN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|Br<1>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(NC[6a])	123.4733	1.655	6	123.4733	2.738	6	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(NN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|Br<1>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(NC[6a])	123.8017	1.213	6	123.8017	1.471	6	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	124.9630	0.000	1	124.9630	0.000	1	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)	117.2620	0.669	2	117.2620	0.447	2	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5a])	117.7950	0.233	2	117.7950	0.054	2	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.2530	0.286	4	117.2530	0.082	4	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	116.6960	0.000	1	116.6960	0.000	1	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(NC)	121.4590	6.309	2	121.4590	39.801	2	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|Br<1>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(NC[6a])	121.1644	5.472	16	121.2240	22.711	92	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(NC[6a])	121.3140	4.486	2	121.2240	22.711	92	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	121.3470	7.863	2	121.2240	22.711	92	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|I<1>}	N(C[6a]C[6a]2)(NC[6a])	121.2326	4.611	56	121.2240	22.711	92	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(NC[6a])	121.2530	5.838	10	121.2240	22.711	92	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	121.1828	3.443	6	121.2240	22.711	92	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|N<2>}	N(C[6a]C[6a]2)(NN)	121.7010	8.461	2	121.7064	32.074	20	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(NN)	121.6705	5.376	4	121.7064	32.074	20	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(NN)	121.7174	5.891	14	121.7064	32.074	20	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|Br<1>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(NC[6a])	122.5740	8.852	2	122.4265	52.808	4	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|I<1>}	N(C[6a]C[6a]2)(NC[6a])	122.2790	8.943	2	122.4265	52.808	4	121.3128	22.505	140	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CN)	118.2705	0.107	2	118.2705	0.011	2	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CPt)	118.8400	1.121	2	118.8400	1.258	2	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(CN)	123.9240	0.000	1	123.9240	0.000	1	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)(CIr)	119.1300	0.000	1	119.1300	0.000	1	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)(CN)	123.5157	0.219	3	123.5157	0.048	3	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CMo)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CMo)	118.8180	0.000	1	118.8180	0.000	1	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CN)	116.8720	0.000	1	116.8720	0.000	1	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CPt)	117.9520	0.000	1	117.9520	0.000	1	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(CN)	124.6120	0.000	1	124.6120	0.000	1	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CMo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CMo)	119.5025	1.638	4	119.5025	2.684	4	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CW)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CW)	119.6770	1.004	2	119.6770	1.008	2	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CIr)	120.7230	0.832	2	120.7230	0.691	2	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CPd)	120.7542	0.588	5	120.7542	0.346	5	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CPt)	120.5342	0.923	6	120.5342	0.852	6	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(CIr)	119.0200	1.141	2	119.0200	1.302	2	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(CN)	124.8000	0.000	1	124.8000	0.000	1	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CN)	118.0665	0.258	2	119.0586	9.407	5	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CN)	124.4930	0.000	1	119.0586	9.407	5	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN)	117.3335	0.332	2	119.0586	9.407	5	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN)	119.1323	2.843	3	119.1323	8.081	3	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC)	119.1835	2.420	4	119.1835	5.855	4	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6])	119.7850	0.000	1	119.7850	0.000	1	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a])	120.2240	2.613	2	120.2240	6.830	2	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCr)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCr)	120.0470	2.902	2	120.0470	8.421	2	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCu)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCu)	119.0809	0.605	12	119.0809	0.366	12	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CFe)	119.3222	0.628	14	119.2683	0.327	18	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CFe)	119.0798	0.286	4	119.2683	0.327	18	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CIr)	118.9477	0.547	4	119.2285	1.172	16	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CIr)	119.5695	0.859	8	119.2285	1.172	16	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CIr)	118.8272	1.791	4	119.2285	1.172	16	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CMo)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CMo)	119.3905	0.677	4	119.3905	0.458	4	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CN)	123.4175	0.904	2	121.6135	8.166	22	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CN)	118.2470	0.000	1	121.6135	8.166	22	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN)	125.1620	0.150	2	121.6135	8.166	22	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CN)	121.2580	4.692	2	121.6135	8.166	22	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CN)	121.2690	3.145	6	121.6135	8.166	22	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN)	119.7520	2.478	2	121.6135	8.166	22	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN)	121.0670	2.846	4	121.6135	8.166	22	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN)	122.0630	2.829	3	121.6135	8.166	22	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CO)	119.5380	2.448	2	119.5380	5.993	2	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COs)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COs)	119.2180	0.211	2	119.2180	0.044	2	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPd)	119.0425	0.026	2	119.0549	0.662	56	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CPd)	118.9741	0.903	16	119.0549	0.662	56	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CPd)	119.1298	0.883	16	119.0549	0.662	56	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPd)	119.0604	0.765	22	119.0549	0.662	56	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CPt)	119.0121	0.574	8	119.1205	0.742	76	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPt)	119.1909	1.086	14	119.1205	0.742	76	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CPt)	119.1383	0.679	16	119.1205	0.742	76	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CPt)	119.2556	0.938	16	119.1205	0.742	76	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPt)	119.0040	0.903	22	119.1205	0.742	76	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRe)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CRe)	119.4012	0.512	6	119.5170	0.566	37	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRe)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CRe)	119.7070	1.063	8	119.5170	0.566	37	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRe)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CRe)	119.7984	0.489	5	119.5170	0.566	37	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRe)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CRe)	119.3931	0.734	18	119.5170	0.566	37	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRh)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CRh)	117.9795	4.215	2	118.6522	6.871	4	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRh)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CRh)	119.3250	1.018	2	118.6522	6.871	4	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRu)	119.6525	0.624	2	119.4520	0.991	8	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CRu)	119.3852	1.135	6	119.4520	0.991	8	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CW)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CW)	120.9115	3.200	2	120.9115	10.238	2	119.5270	2.418	311	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	115.9320	0.000	1	115.9320	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	114.7955	0.192	2	117.9653	30.162	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	124.3050	0.000	1	117.9653	30.162	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(NC[6a])	122.0700	0.000	1	122.0700	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC)	123.0560	0.000	1	123.0560	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	122.0015	1.126	2	122.0015	1.269	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,2|C<3>}	N(C[6a]C[6a]2)(NN)	127.1710	0.000	1	124.0793	7.184	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NN)	122.5335	0.176	2	124.0793	7.184	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(NC[5a])	122.8100	0.000	1	122.8100	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	122.6300	0.393	4	122.6300	0.154	4	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NN)	122.7625	0.200	4	122.7625	0.040	4	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)	121.0320	0.000	1	121.0320	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[5a])	124.0460	0.000	1	124.0460	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])	121.6830	0.000	1	121.6830	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	123.4810	0.000	1	123.4810	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(NN)	124.8480	0.000	1	124.8480	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(NC)	122.3365	1.047	2	122.3365	1.097	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	122.5540	0.106	2	122.5540	0.011	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NN)	123.0960	0.000	1	123.0960	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[5a])	121.1040	0.000	1	121.1040	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])	121.8140	0.000	1	121.8140	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(NC[6a])	115.6995	4.166	2	122.5607	5.231	32	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	124.7117	0.783	3	122.5607	5.231	32	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	123.2778	0.714	9	122.5607	5.231	32	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)(NC[6a])	124.0360	0.000	1	122.5607	5.231	32	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	123.5200	0.000	1	122.5607	5.231	32	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	122.3180	1.159	15	122.5607	5.231	32	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	124.5820	0.000	1	122.5607	5.231	32	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<2>,1|C<3>}	N(C[6a]C[6a]2)(NN)	124.5795	0.388	2	123.5913	1.469	9	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NN)	124.6255	0.581	2	123.5913	1.469	9	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NN)	123.1640	0.000	1	123.5913	1.469	9	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NN)	122.6870	1.113	4	123.5913	1.469	9	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NN){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(NN)	122.5620	0.000	1	122.5620	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|Fe<10>,1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N(C[6a]C[6a]2)(NC[6a])	123.9470	0.000	1	123.9470	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)	124.6200	0.000	1	124.6200	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])	123.6645	1.348	2	123.6645	1.818	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(NC[6a])	123.8200	0.000	1	124.0108	0.108	10	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	124.0518	0.315	6	124.0108	0.108	10	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	124.2545	0.103	2	124.0108	0.108	10	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	123.4680	0.000	1	124.0108	0.108	10	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(NN)	124.9718	0.281	4	124.9718	0.079	4	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	123.5957	0.637	3	123.5957	0.406	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC)	124.2210	1.083	2	124.2210	1.174	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC[5a])	124.5540	0.092	2	124.5540	0.008	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	125.1915	0.267	4	125.1915	0.071	4	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NN)	125.7500	0.000	1	125.7500	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(NC[6a])	124.0020	1.472	3	124.0020	2.168	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	123.8850	0.000	1	123.8850	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NC)	121.1352	0.663	6	121.1352	0.440	6	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[5a])	124.5970	1.424	2	124.5970	2.028	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NC[6])	119.7030	0.000	1	119.7030	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(NC[6a])	123.6293	0.627	3	121.4058	26.853	12	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	120.6647	5.861	9	121.4058	26.853	12	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(NN)	124.1735	0.262	2	124.0123	0.112	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NN)	123.6900	0.000	1	124.0123	0.112	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NN[5])	125.0710	0.000	1	125.0710	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(NC[6a])	115.3170	0.000	1	115.3170	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	118.3028	2.702	11	117.7264	8.065	13	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	114.5560	0.192	2	117.7264	8.065	13	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(NC)	114.9830	0.000	1	114.9830	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	115.3370	0.000	1	115.3370	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC)	123.9095	0.276	2	121.4623	18.004	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(NC)	116.5680	0.000	1	121.4623	18.004	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[5a])	115.3170	0.402	4	115.3170	0.162	4	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	121.1849	4.181	15	120.5428	17.690	21	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	124.3210	0.096	2	120.5428	17.690	21	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(NC[6a])	116.3413	0.454	3	120.5428	17.690	21	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	115.9600	0.000	1	120.5428	17.690	21	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NN)	124.2516	0.203	5	124.2516	0.041	5	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	113.8040	0.000	1	113.8040	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(NN)	124.8975	0.097	2	124.8975	0.009	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|P<4>}	N(C[6a]C[6a]2)(NC[6a])	123.3410	0.000	1	123.9510	1.661	7	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(NC[6a])	124.0527	1.381	6	123.9510	1.661	7	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(NC)	113.1660	0.000	1	113.1660	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(NC[5a])	124.8920	0.000	1	124.8920	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(NC[6a])	124.5724	1.634	10	124.4310	2.321	12	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(NC[6a])	123.7240	0.557	2	124.4310	2.321	12	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(NC[6a])	125.8890	0.000	1	123.7705	13.814	15	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(NC[6a])	126.3990	0.000	1	123.7705	13.814	15	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	123.4054	3.876	13	123.7705	13.814	15	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(NC[5a])	116.5210	0.000	1	116.5210	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(NC[6a])	115.9380	0.781	2	115.9380	0.609	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[6a])	115.0520	0.000	1	118.2163	30.134	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[6a])	119.7985	6.727	2	118.2163	30.134	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.5545	7.417	2	118.9843	34.901	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.8440	0.000	1	118.9843	34.901	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)	119.8235	6.332	2	118.8977	22.620	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC)	117.0460	0.000	1	118.8977	22.620	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[5])	124.3740	0.016	2	124.3740	0.000	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[5a])	114.6485	0.740	2	114.8600	0.397	4	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[5a])	115.0715	0.681	2	114.8600	0.397	4	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])	114.9530	0.000	1	114.9530	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	118.4550	7.324	2	118.5109	18.795	119	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	116.5700	0.000	1	118.5109	18.795	119	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	123.9940	0.581	2	118.5109	18.795	119	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.8940	4.535	4	118.5109	18.795	119	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	118.5796	6.323	7	118.5109	18.795	119	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.4019	4.452	21	118.5109	18.795	119	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	120.1449	4.871	10	118.5109	18.795	119	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.7343	4.556	6	118.5109	18.795	119	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	117.4368	3.720	45	118.5109	18.795	119	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	118.7147	4.167	3	118.5109	18.795	119	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	118.9715	5.617	2	118.5109	18.795	119	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	117.4431	4.128	10	118.5109	18.795	119	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.8707	5.044	6	118.5109	18.795	119	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NN)	115.7455	0.042	2	118.8182	20.277	10	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NN)	119.7048	5.687	4	118.8182	20.277	10	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	119.4680	4.537	4	118.8182	20.277	10	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.1585	4.890	2	120.1585	23.909	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	N(C[6a]C[6a]2)(NC[6a])	124.8370	0.000	1	125.1640	0.214	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(NC[6a])	125.4910	0.000	1	125.1640	0.214	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)	124.0530	0.000	1	124.0530	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])	123.6760	0.124	2	123.6760	0.015	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.9775	4.542	4	119.9775	20.634	4	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	119.9270	5.892	2	119.9270	34.711	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	123.5780	0.000	1	123.5780	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)	120.0520	4.681	2	120.0668	16.108	98	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)	119.9393	4.043	6	120.0668	16.108	98	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC)	119.9650	4.360	24	120.0668	16.108	98	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC)	120.0833	4.963	6	120.0668	16.108	98	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC)	119.9187	3.720	6	120.0668	16.108	98	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)	120.1622	3.885	38	120.0668	16.108	98	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)	120.2508	4.148	12	120.0668	16.108	98	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC)	120.5165	6.946	2	120.0668	16.108	98	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)	114.9790	0.000	1	120.0668	16.108	98	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC)	122.4500	0.000	1	120.0668	16.108	98	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5,5])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5,5])	120.2050	6.241	2	120.2050	38.949	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(NC[5])	119.8047	5.520	4	119.8900	26.204	24	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[5])	120.6740	6.498	2	119.8900	26.204	24	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5])	120.2275	5.567	14	119.8900	26.204	24	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[5])	120.1105	6.540	2	119.8900	26.204	24	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[5])	116.6940	0.057	2	119.8900	26.204	24	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[5a])	125.8245	0.564	2	120.4756	21.290	114	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[5a])	119.8023	7.918	4	120.4756	21.290	114	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[5a])	120.4813	4.783	14	120.4756	21.290	114	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC[5a])	120.3483	4.879	8	120.4756	21.290	114	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(NC[5a])	120.2483	4.676	10	120.4756	21.290	114	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[5a])	120.7308	4.509	18	120.4756	21.290	114	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[5a])	120.6275	4.751	4	120.4756	21.290	114	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5a])	120.0561	4.425	40	120.4756	21.290	114	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[5a])	120.2670	5.068	10	120.4756	21.290	114	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[5a])	120.4085	6.246	2	120.4756	21.290	114	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[5a])	124.9805	0.658	2	120.4756	21.290	114	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])	125.0350	0.000	1	120.1655	20.768	55	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])	120.1355	5.361	4	120.1655	20.768	55	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])	120.0170	3.135	4	120.1655	20.768	55	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6])	121.0023	5.722	8	120.1655	20.768	55	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6])	120.1570	4.524	10	120.1655	20.768	55	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])	119.9843	4.620	24	120.1655	20.768	55	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])	120.8120	6.372	2	120.1655	20.768	55	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])	116.3105	0.231	2	120.1655	20.768	55	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	123.8230	0.000	1	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	123.9090	0.000	1	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.3000	0.700	2	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	122.4143	4.661	4	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	121.3212	6.325	8	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.8561	4.727	23	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.5380	0.000	1	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	116.4840	0.000	1	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	114.0090	0.000	1	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.7395	5.745	2	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	124.6780	0.000	1	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	124.0890	0.000	1	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	124.2330	0.000	1	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.0895	13.014	2	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.1531	4.987	16	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.8377	4.998	20	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.1737	4.413	60	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.2040	5.898	4	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(NC[6a])	119.9665	9.434	4	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(NC[6a])	120.4015	9.432	2	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	120.2334	5.290	260	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(NC[6a])	119.9594	4.730	20	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	120.2509	4.588	168	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(NC[6a])	120.2680	4.492	2	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(NC[6a])	119.7904	4.430	85	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.8464	4.664	326	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.2153	4.246	16	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	119.9741	4.508	58	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.1630	5.885	2	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.9614	5.156	8	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.9232	5.134	4	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	123.2546	3.941	46	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	121.8525	4.287	4	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	120.8430	6.189	2	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	124.5707	1.029	3	120.2035	23.092	1159	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NFe)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NFe)	120.0045	4.235	2	120.0045	17.934	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NMo)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NMo)	120.0130	3.735	2	119.9997	11.534	6	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NMo)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NMo)	119.9930	3.818	4	119.9997	11.534	6	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NN)	125.2270	0.542	2	120.2129	18.029	85	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	121.8537	4.881	6	120.2129	18.029	85	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	115.7060	0.000	1	120.2129	18.029	85	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NN)	120.0998	4.230	12	120.2129	18.029	85	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NN)	120.1071	4.521	18	120.2129	18.029	85	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(NN)	119.6505	5.219	2	120.2129	18.029	85	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	120.2379	4.484	16	120.2129	18.029	85	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NN)	119.8093	4.016	24	120.2129	18.029	85	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	119.7892	4.416	4	120.2129	18.029	85	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN[5])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN[5])	120.0020	5.005	2	120.2738	22.435	4	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN[5])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NN[5])	120.5455	6.478	2	120.2738	22.435	4	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NN[6])	120.3065	6.394	2	120.0618	22.416	6	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NN[6])	119.9395	4.865	4	120.0618	22.416	6	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN[6a])	119.7480	5.353	2	119.7480	28.652	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NPd)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NPd)	120.1020	4.144	2	120.1020	17.170	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NRe)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NRe)	120.1160	4.052	2	120.4625	12.989	4	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NRe)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NRe)	120.8090	4.698	2	120.4625	12.989	4	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NRu)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NRu)	118.3990	5.227	2	118.3990	27.321	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	126.4990	0.000	1	122.2605	17.705	13	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.1585	5.987	2	122.2605	17.705	13	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	122.4570	3.930	10	122.2605	17.705	13	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]P)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.2410	0.000	1	115.2410	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	115.0160	0.000	1	115.3380	0.207	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.6600	0.000	1	115.3380	0.207	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	123.8340	0.000	1	123.8340	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])	119.9931	4.525	8	119.9931	20.478	8	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.3705	4.423	175	120.3705	19.566	175	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	124.3850	0.000	1	124.3850	0.000	1	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	118.4032	4.412	6	118.6976	18.581	8	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	119.5810	5.535	2	118.6976	18.581	8	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.0753	1.000	3	115.0753	1.000	3	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	125.2690	0.000	1	124.2554	1.694	5	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN){4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	124.0020	1.353	4	124.2554	1.694	5	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.0740	6.348	2	117.0740	40.302	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.0050	5.405	2	119.0050	29.215	2	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(NC[6a])	121.5159	2.720	9	121.2201	11.433	19	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.9538	4.016	10	121.2201	11.433	19	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Sn<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	123.2993	1.240	8	123.1142	1.654	9	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Sn<7>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	121.6340	0.000	1	123.1142	1.654	9	120.3361	20.902	2197	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(OH)	118.2430	0.000	1	118.2430	0.000	1	118.2430	0.000	1	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.1250	0.995	3	117.1250	0.989	3	117.1250	0.989	3	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-2:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(NC[5a])	113.6870	0.000	1	113.6870	0.000	1	117.4784	30.147	5	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-2:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<3>,1|N<4>,1|O<1>}	N(C[6a]C[6a]2)(NC[6a])	123.4875	0.250	2	118.4263	34.207	4	117.4784	30.147	5	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-2:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(NC[6a])	113.3650	0.305	2	118.4263	34.207	4	117.4784	30.147	5	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-2:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(OH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(OH)	112.0990	0.000	1	112.0990	0.000	1	112.0990	0.000	1	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	N[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:S-2:	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS)	C[6a](C[6a]C[5,6a]F)(C[6a]N[6a]N)(S)	N(C[6a]C[6a]N[6a])(SS)	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS){1|C<3>,1|F<1>,1|N<2>}	C[6a](C[6a]C[5,6a]F)(C[6a]N[6a]N)(S){1|C<3>,1|C<4>,1|S<2>}	N(C[6a]C[6a]N[6a])(SS)	125.6197	0.232	3	125.6197	0.054	3	125.6197	0.054	3	120.2903	18.593	2785	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[4,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[4,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[4,6a]C[6a])(CC[6a]2)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[4,6a]C[6a])(CC[6a]2)	120.8180	0.619	2	120.8180	0.384	2	120.8180	0.384	2	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(CC[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(CC[6a]C)	118.9630	0.000	1	118.3360	0.786	2	118.3360	0.786	2	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(CC[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(CC[6a]C)	117.7090	0.000	1	118.3360	0.786	2	118.3360	0.786	2	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5])	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(Cl)	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)	125.7767	2.778	3	125.7767	7.720	3	125.7767	7.720	3	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	128.6270	0.000	1	128.6270	0.000	1	128.8890	0.056	3	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])2	129.0200	0.091	2	129.0200	0.008	2	128.8890	0.056	3	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(CCO)	119.4370	0.000	1	119.4370	0.000	1	122.5408	5.045	13	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]2)	119.7730	1.622	2	119.7730	2.631	2	122.5408	5.045	13	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	122.4250	0.000	1	122.4250	0.000	1	122.5408	5.045	13	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]2)	124.3895	3.934	2	124.3895	15.473	2	122.5408	5.045	13	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	122.6835	0.441	2	122.6835	0.194	2	122.5408	5.045	13	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Cl)(H)	N(C[6a]C[6,6a]C[6a])(CNO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(CNO)	123.6610	0.999	3	123.6610	0.999	3	122.5408	5.045	13	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	123.2470	1.906	2	123.2470	3.634	2	122.5408	5.045	13	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	122.3220	0.712	8	122.3220	0.506	8	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CNS)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNS)	118.1170	0.000	1	118.1170	0.000	1	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCC)	122.3200	0.000	1	122.3200	0.000	1	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCH)	123.3813	0.455	4	123.3813	0.207	4	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[5]H)	121.9435	0.757	4	121.9435	0.573	4	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	123.9690	0.000	1	123.2155	0.279	4	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	122.9643	0.201	3	123.2155	0.279	4	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6]H)	123.2610	0.000	1	123.3023	0.229	3	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6]H)	123.3230	0.675	2	123.3023	0.229	3	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]2)	118.9155	0.021	2	120.4317	3.872	4	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]2)	121.9480	1.556	2	120.4317	3.872	4	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]Co)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]Co)	122.3950	0.000	1	122.3950	0.000	1	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	117.6160	0.000	1	122.2878	1.241	37	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	123.7310	0.000	1	122.2878	1.241	37	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	122.3801	0.776	35	122.2878	1.241	37	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNO)	123.1220	0.000	1	123.1220	0.000	1	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CNS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNS)	123.0020	0.000	1	123.0020	0.000	1	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CCO)	125.5532	0.907	5	125.5532	0.823	5	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)	124.8300	0.000	1	124.8300	0.000	1	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[5]O)	125.8265	1.701	2	125.8265	2.892	2	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)	125.6090	0.000	1	125.6090	0.000	1	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]C)	121.2140	0.000	1	121.2140	0.000	1	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	114.3980	0.000	1	114.3980	0.000	1	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)	125.2260	0.376	2	125.2260	0.142	2	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CNO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CNO)	125.8320	0.000	1	125.8320	0.000	1	122.6473	3.565	83	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])	120.9945	0.633	2	120.9945	0.401	2	118.7103	3.654	7	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)	117.7966	1.315	5	117.7966	1.729	5	118.7103	3.654	7	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5a])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	121.0040	0.000	1	121.0040	0.000	1	120.5700	0.377	2	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5a])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])	120.1360	0.000	1	120.1360	0.000	1	120.5700	0.377	2	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	112.1610	0.000	1	112.1610	0.000	1	117.9740	47.264	4	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])2	112.0970	0.000	1	112.0970	0.000	1	117.9740	47.264	4	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]){1|H<1>,1|O<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	125.4210	0.000	1	125.4210	0.000	1	117.9740	47.264	4	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	122.2170	0.000	1	122.2170	0.000	1	117.9740	47.264	4	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[5a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[5a]){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	119.8470	0.000	1	119.8470	0.000	1	119.8470	0.000	1	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	123.3555	0.059	2	123.3555	0.003	2	120.4707	11.254	12	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	119.6470	0.000	1	119.6470	0.000	1	120.4707	11.254	12	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	115.5090	0.000	1	115.5090	0.000	1	120.4707	11.254	12	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	115.7980	0.000	1	118.7277	21.018	3	120.4707	11.254	12	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.1925	5.400	2	118.7277	21.018	3	120.4707	11.254	12	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	125.4380	0.000	1	125.4380	0.000	1	120.4707	11.254	12	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|C<4>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(CNN)	120.2995	2.333	2	120.2995	5.442	2	120.4707	11.254	12	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CNN)	120.7810	0.574	2	120.7810	0.330	2	120.4707	11.254	12	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CCH)	117.3130	0.000	1	117.3130	0.000	1	116.6321	0.590	7	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	116.7698	0.526	5	116.7698	0.277	5	116.6321	0.590	7	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	115.2630	0.000	1	115.2630	0.000	1	116.6321	0.590	7	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	119.9350	0.000	1	119.9350	0.000	1	119.9350	0.000	1	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)2	127.6260	0.000	1	127.6260	0.000	1	125.2737	9.419	3	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|C<3>,2|N<3>}	N(C[6a]C[6a]2)2	121.8020	0.000	1	124.0975	10.539	2	125.2737	9.419	3	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)2	126.3930	0.000	1	124.0975	10.539	2	125.2737	9.419	3	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCC)	117.6380	2.820	2	117.6380	7.952	2	121.0157	11.967	22	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,3|N<2>}	N(C[6a]C[6a]2)(CCO)	123.7630	0.000	1	123.1190	0.829	2	121.0157	11.967	22	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCO)	122.4750	0.000	1	123.1190	0.829	2	121.0157	11.967	22	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	115.9465	0.374	2	117.0038	1.312	5	121.0157	11.967	22	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	117.7087	0.831	3	117.0038	1.312	5	121.0157	11.967	22	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	124.0040	0.497	4	124.0040	0.247	4	121.0157	11.967	22	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.7520	0.000	1	122.7520	0.000	1	121.0157	11.967	22	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CNN)	126.4475	0.354	2	123.4055	7.270	6	121.0157	11.967	22	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){2|C<3>,2|N<2>}	N(C[6a]C[6a]2)(CNN)	121.8845	1.680	4	123.4055	7.270	6	121.0157	11.967	22	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.7340	0.000	1	118.7340	0.000	1	121.0157	11.967	22	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	117.8780	0.000	1	117.8780	0.000	1	121.0157	11.967	22	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)	118.8780	0.000	1	118.8780	0.000	1	118.8780	0.000	1	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	120.8640	0.000	1	120.8640	0.000	1	120.8640	0.000	1	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCC)	121.0940	0.000	1	121.0940	0.000	1	120.3056	3.379	18	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.9405	0.046	2	118.9405	0.002	2	120.3056	3.379	18	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)	120.1740	0.000	1	120.1740	0.000	1	120.3056	3.379	18	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.0950	0.202	2	118.9739	0.483	7	120.3056	3.379	18	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.9254	0.839	5	118.9739	0.483	7	120.3056	3.379	18	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CN[6]C)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]C)	120.7500	0.000	1	120.7500	0.000	1	120.3056	3.379	18	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]Br)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCN)	122.7105	3.282	2	122.7105	10.769	2	120.3056	3.379	18	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCO)	121.9965	0.887	2	121.9965	0.788	2	120.3056	3.379	18	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]Br)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	121.6850	2.219	2	121.6850	4.924	2	120.3056	3.379	18	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]Br)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]Br)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(C[5]N[5]2)	122.9030	2.797	2	122.9030	7.825	2	122.9030	7.825	2	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NC[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){3|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	121.1750	0.000	1	121.1750	0.000	1	120.5745	2.008	4	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)	121.6980	0.000	1	121.6980	0.000	1	120.5745	2.008	4	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[5]O[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[5]O[5]S[5])(C[6a]C[6a]2)	119.7125	1.708	2	119.7125	2.916	2	120.5745	2.008	4	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)	120.8645	2.584	2	120.8645	6.680	2	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	117.6220	0.000	1	117.6220	0.000	1	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)	118.7463	0.434	3	118.7463	0.189	3	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]S)	119.0005	2.664	2	119.0005	7.095	2	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.0620	0.000	1	118.3407	0.902	18	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.9890	0.000	1	118.3407	0.902	18	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.4855	1.191	10	118.3407	0.902	18	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.2840	0.406	4	118.3407	0.902	18	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.5160	0.000	1	118.3407	0.902	18	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.5750	0.000	1	118.3407	0.902	18	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)	118.0770	0.000	1	118.5615	0.469	2	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	119.0460	0.000	1	118.5615	0.469	2	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)	120.7310	0.000	1	120.7310	0.000	1	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	121.0420	0.000	1	121.0420	0.000	1	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)2(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]Cl)2(NC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)	120.0815	0.575	8	120.0815	0.330	8	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCN)	121.3075	3.300	2	121.3075	10.890	2	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]C)	121.7015	2.009	4	121.7015	4.035	4	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	121.5267	0.352	6	121.5267	0.124	6	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	121.6104	1.200	8	121.6104	1.440	8	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHN)	121.2236	1.902	12	121.2236	3.619	12	120.1346	3.499	70	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]Cl)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]Cl)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<2>,1|C<3>}	N(C[6a]C[6a]2)(C[5]N[5]2)	121.1740	1.195	2	121.7963	1.155	12	121.7963	1.155	12	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]Cl)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]Cl)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(C[5]N[5]2)	122.2228	1.248	6	121.7963	1.155	12	121.7963	1.155	12	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]Cl)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]Cl)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(C[5]N[5]2)	121.4675	0.631	4	121.7963	1.155	12	121.7963	1.155	12	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]Cl)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)	121.4832	1.846	4	121.4832	3.407	4	121.4832	3.407	4	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)2(NC[6a]){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)2	122.7740	8.771	2	122.7740	76.930	2	122.2022	7.291	12	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2	122.0879	0.526	10	122.0879	0.276	10	122.2022	7.291	12	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)	121.2280	0.163	2	121.2280	0.026	2	121.2280	0.026	2	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|H<1>,2|C<3>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	120.0400	0.000	1	120.0400	0.000	1	120.0400	0.000	1	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(NC[6])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(NC[6]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	121.6520	3.663	2	121.6520	13.416	2	121.6520	13.416	2	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.2730	0.000	1	117.7116	1.439	10	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.7603	1.262	9	117.7116	1.439	10	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CN[5]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]O)	117.5070	0.000	1	117.5070	0.000	1	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.9930	0.000	1	118.3367	0.663	21	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.4790	0.000	1	118.3367	0.663	21	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.4211	0.330	7	118.3367	0.663	21	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.2670	0.000	1	118.3367	0.663	21	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.4363	0.752	8	118.3367	0.663	21	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.9647	0.783	3	118.3367	0.663	21	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)	120.4360	0.000	1	120.4360	0.000	1	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]H)	115.0700	0.233	2	115.0700	0.054	2	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CCC)	121.4800	3.091	2	121.4800	9.557	2	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CCH)	121.8133	5.689	4	121.8133	32.364	4	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CCN)	121.8160	2.923	4	121.8160	8.541	4	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CCO)	121.3747	0.650	6	121.3747	0.423	6	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[5]H)	121.7929	3.763	8	121.7929	14.157	8	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[5a]H)	121.9530	4.329	8	121.9530	18.742	8	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]C)	121.7800	2.254	4	121.7800	5.080	4	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.4580	4.009	6	122.2209	26.193	18	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]H)	122.0155	5.536	2	122.2209	26.193	18	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.9885	6.232	2	122.2209	26.193	18	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.1525	6.490	8	122.2209	26.193	18	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]N)	121.9740	1.567	2	121.9740	2.455	2	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CNO)	121.4625	1.025	2	121.4625	1.050	2	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(COO)	121.5540	2.053	2	121.5540	4.217	2	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.4711	2.798	8	122.4711	7.830	8	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CHN)	122.5435	1.148	4	122.5435	1.318	4	120.6821	12.500	107	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(NC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(NC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)2	123.2720	4.773	6	123.2720	22.783	6	123.2720	22.783	6	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)	125.4940	0.000	1	125.4940	0.000	1	121.1578	7.822	9	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)	120.5020	0.927	4	120.5020	0.859	4	121.1578	7.822	9	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)	120.7295	3.594	4	120.7295	12.915	4	121.1578	7.822	9	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[4a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[4a]N[4a]S[4a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[4a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[4a]N[4a]S[4a])(C[6a]C[6a]2)	120.4945	3.200	2	120.3642	13.168	6	120.3642	13.168	6	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[4a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[4a]N[4a]S[4a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[4a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[4a]N[4a]S[4a])(C[6a]C[6a]2)	120.2990	4.303	4	120.3642	13.168	6	120.3642	13.168	6	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[5]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	121.4340	0.372	2	121.4340	0.138	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)	121.4260	0.000	1	121.4260	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[3,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[5]C[3,5]N[5])(C[6a]C[6a]2)	121.3880	0.000	1	121.3880	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	119.8315	2.149	2	119.8315	4.618	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	119.3211	1.122	8	118.7350	4.193	9	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	114.0460	0.000	1	118.7350	4.193	9	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]N[5]O[5])(C[6a]C[6a]2)	120.6865	0.616	2	120.6865	0.379	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	121.9010	0.000	1	121.9010	0.000	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	121.9010	0.000	1	121.9010	0.000	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)	120.7930	0.000	1	120.7930	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]O[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]O[5]S[5])(C[6a]C[6a]2)	122.4545	1.316	2	122.4545	1.732	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)	121.9315	0.334	2	121.9315	0.112	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|I<1>,2|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	119.1065	1.173	2	119.1065	1.376	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	120.0790	0.000	1	120.0790	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	119.6660	0.000	1	119.6660	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	120.9010	0.000	1	120.9010	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	122.5830	0.000	1	122.5830	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	119.8440	0.000	1	119.8440	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	121.3290	0.000	1	121.3290	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5]O[5])(C[6a]C[6a]2)	124.1920	0.000	1	124.1920	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)	121.3620	0.000	1	121.3620	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]N)2(H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|O<2>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	113.7980	0.081	2	113.7980	0.006	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	119.7210	0.000	1	119.7210	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	120.2490	0.000	1	120.2490	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	120.0735	0.152	2	120.0735	0.023	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	120.7250	4.090	2	120.7250	16.727	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[5]Se[5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]Se[5]C[5])(C[6a]C[6a]2)	124.1530	0.000	1	124.1530	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,5]S[5])(C[6a]C[6a]2)	120.2355	2.225	8	120.2355	4.953	8	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)	120.2155	1.726	2	120.2155	2.979	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]C[5,6]O[5])(C[6a]C[6a]2)	120.9155	5.410	2	120.8274	25.011	8	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6]O[5])(C[6a]C[6a]2)	121.0195	7.503	2	120.8274	25.011	8	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6]O[5])(C[6a]C[6a]2)	120.6873	5.457	4	120.8274	25.011	8	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	119.9985	2.654	2	119.8377	8.263	4	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	119.6770	4.200	2	119.8377	8.263	4	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	120.2420	0.000	1	120.4034	1.003	17	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	120.3063	0.916	8	120.4034	1.003	17	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	120.3430	0.379	2	120.4034	1.003	17	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	120.8487	1.709	4	120.4034	1.003	17	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	120.0425	0.319	2	120.4034	1.003	17	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	119.7760	1.721	2	120.0717	1.371	60	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	120.1852	1.621	10	120.0717	1.371	60	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	120.2017	0.926	10	120.0717	1.371	60	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	120.4339	1.272	8	120.0717	1.371	60	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	119.9037	1.123	27	120.0717	1.371	60	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	120.0033	0.275	3	120.0717	1.371	60	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	118.4420	0.000	1	120.3643	2.988	7	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	120.6847	1.650	6	120.3643	2.988	7	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]O[5])(C[6a]C[6a]2)	120.7385	4.567	2	120.6052	8.371	4	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5])(C[6a]C[6a]2)	120.4720	2.045	2	120.6052	8.371	4	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]S[5])(C[6a]C[6a]2)	120.8995	7.002	2	120.8995	49.035	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5]N[5])(C[6a]C[6a]2)	120.2220	1.600	4	120.2427	3.327	6	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]C[5]N[5])(C[6a]C[6a]2)	120.2840	2.992	2	120.2427	3.327	6	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]C[5]S[5])(C[6a]C[6a]2)	120.3375	0.190	2	120.4265	5.155	10	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[5]C[5]S[5])(C[6a]C[6a]2)	120.5445	4.075	2	120.4265	5.155	10	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5]S[5])(C[6a]C[6a]2)	120.4168	2.437	6	120.4265	5.155	10	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5,5a]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]N[5,5a]S[5])(C[6a]C[6a]2)	120.7045	4.506	4	120.7045	20.307	4	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5,6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]N[5,6]O[5])(C[6a]C[6a]2)	120.7730	1.252	2	120.7730	1.566	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]N[5]O[5])(C[6a]C[6a]2)	120.8670	5.603	2	120.7137	8.060	24	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]N[5]O[5])(C[6a]C[6a]2)	120.5653	2.468	18	120.7137	8.060	24	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]N[5]O[5])(C[6a]C[6a]2)	121.3047	4.024	4	120.7137	8.060	24	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)	120.8268	0.821	4	120.4529	3.360	46	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)	120.0425	1.196	2	120.4529	3.360	46	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)	120.2485	0.114	2	120.4529	3.360	46	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)	120.4093	1.721	32	120.4529	3.360	46	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)	120.6407	3.306	6	120.4529	3.360	46	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]O[5]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]O[5]P[5])(C[6a]C[6a]2)	120.7005	6.665	4	120.7005	44.422	4	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]O[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]O[5]S[5])(C[6a]C[6a]2)	120.3810	4.012	2	120.3810	16.097	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]Se[5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]Se[5]C[5])(C[6a]C[6a]2)	117.0610	0.000	1	117.0610	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]Se[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]Se[5]N[5])(C[6a]C[6a]2)	120.7192	3.185	6	120.7192	10.145	6	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]Se[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[5]Se[5]O[5])(C[6a]C[6a]2)	119.9985	1.525	2	119.9985	2.326	2	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	121.3093	1.667	4	121.3093	2.779	4	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]N)2(H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	121.4740	0.000	1	121.4740	0.000	1	120.3599	5.125	267	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[5a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[5a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	118.9090	0.000	1	118.9090	0.000	1	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	118.5170	0.000	1	118.5170	0.000	1	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	111.4345	0.259	4	111.6352	0.477	8	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Co<5>,1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	112.6750	0.000	2	111.6352	0.477	8	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	110.9970	0.000	2	111.6352	0.477	8	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|F<1>,2|C<3>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	122.8560	0.000	1	122.8560	0.000	1	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	117.4820	0.063	3	117.4820	0.004	3	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	121.4530	0.000	1	121.4530	0.000	1	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]B[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]B[5a]N[5a])(C[6a]C[6a]2)	120.7945	1.191	2	120.7945	1.420	2	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	120.3760	0.697	3	120.3760	0.485	3	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	120.5550	0.494	2	120.3923	1.371	12	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	120.3055	0.761	8	120.3923	1.371	12	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	120.5770	3.256	2	120.3923	1.371	12	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	119.3676	0.693	5	119.3676	0.480	5	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)	121.0345	8.328	2	121.0345	69.349	2	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	120.4165	5.116	6	120.5954	22.898	10	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	120.8637	4.991	4	120.5954	22.898	10	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	120.6850	0.122	2	120.6850	0.015	2	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5,5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5,5a]S[5a])(C[6a]C[6a]2)	120.4860	2.121	2	120.4860	4.500	2	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a,6]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a,6]N[5a])(C[6a]C[6a]2)	121.4190	8.697	2	121.4190	75.645	2	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a,6]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a,6]S[5a])(C[6a]C[6a]2)	121.0225	5.192	2	121.0225	26.960	2	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	120.8235	3.207	2	120.8235	10.283	2	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	120.8680	0.748	2	120.3013	5.559	16	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	120.2410	3.096	2	120.3013	5.559	16	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	120.3072	2.755	10	120.3013	5.559	16	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	119.7655	1.928	2	120.3013	5.559	16	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a])	C[6a](C[6a]C[6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	121.3540	0.534	5	121.3540	0.285	5	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	110.6235	0.047	2	110.6235	0.002	2	119.2836	15.519	82	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)	120.4078	1.996	6	120.4078	3.986	6	120.4078	3.986	6	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	121.3530	0.000	1	121.3530	0.000	1	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	124.2300	0.000	1	124.2300	0.000	1	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	122.8940	0.856	2	122.8940	0.732	2	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|I<1>,2|C<3>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)	119.6160	0.000	1	119.6160	0.000	1	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)	119.9870	0.000	1	119.9870	0.000	1	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	124.8360	0.000	1	120.1495	43.927	2	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	115.4630	0.000	1	120.1495	43.927	2	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	114.3610	0.000	1	114.3610	0.000	1	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	118.3270	0.000	1	118.3270	0.000	1	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	122.6480	0.000	1	122.6480	0.000	1	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)	119.7680	0.000	1	119.7680	0.000	1	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	124.3880	0.000	1	124.3880	0.000	1	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	117.8910	0.000	1	117.8910	0.000	1	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	120.2170	2.976	2	120.2170	8.854	2	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	116.5750	0.000	1	116.5750	0.000	1	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]N[6]O[6])(C[6a]C[6a]2)	120.9990	5.984	2	120.9990	35.803	2	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	126.2890	0.000	1	126.2890	0.000	1	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	124.7080	0.000	1	124.7080	0.000	1	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[5,6]N[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[5,6]N[5,6])(C[6a]C[6a]2)	120.9125	1.146	2	120.9125	1.314	2	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6,6]C[6])(C[6a]C[6a]2)	120.4800	0.564	2	120.4800	0.318	2	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6,6]N[6])(C[6a]C[6a]2)	120.6605	4.680	2	120.6605	21.906	2	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	120.4135	2.617	2	120.3139	4.767	14	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	120.2128	3.104	6	120.3139	4.767	14	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]2)(C[6a]C[6a]2)	120.3818	1.169	6	120.3139	4.767	14	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	120.2970	1.838	2	120.4857	4.230	12	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	120.0420	0.841	2	120.4857	4.230	12	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	120.8800	2.902	2	120.4857	4.230	12	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	120.4857	2.156	4	120.4857	4.230	12	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	120.7240	4.380	2	120.4857	4.230	12	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	122.6800	0.000	1	121.3800	1.629	3	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	120.7300	0.850	2	121.3800	1.629	3	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]O[6])(C[6a]C[6a]2)	120.6730	2.783	6	120.6730	7.744	6	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)	120.8135	0.643	2	120.8135	0.413	2	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	120.6520	5.434	3	120.0196	13.556	12	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	120.8925	7.080	2	120.0196	13.556	12	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	120.3527	0.970	6	120.0196	13.556	12	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	114.3780	0.000	1	120.0196	13.556	12	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)	120.2360	2.735	2	120.2880	1.453	12	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)	119.8675	1.426	2	120.2880	1.453	12	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)	120.4061	0.926	8	120.2880	1.453	12	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]N[5a,6]C[6])(C[6a]C[6a]2)	120.0545	1.921	2	120.4262	1.421	4	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]N[5a,6]C[6])(C[6a]C[6a]2)	120.7980	0.139	2	120.4262	1.421	4	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[5a,6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]N[5a,6]N[6])(C[6a]C[6a]2)	120.6075	0.764	2	120.6075	0.584	2	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[5a,6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]N[5a,6]O[6])(C[6a]C[6a]2)	121.1585	2.965	2	121.1585	8.791	2	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	120.4370	0.515	2	120.4370	0.265	2	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6,6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]N[6,6]S[6])(C[6a]C[6a]2)	120.9020	3.531	2	120.7627	4.761	4	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6,6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6]N[6,6]S[6])(C[6a]C[6a]2)	120.6235	1.317	2	120.7627	4.761	4	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]N[6]O[6])(C[6a]C[6a]2)	120.4975	5.909	2	120.4975	34.920	2	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	120.1860	0.288	2	120.4422	5.195	11	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	121.3445	3.142	2	120.4422	5.195	11	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	120.5480	2.429	4	120.4422	5.195	11	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	121.0705	3.586	2	120.4422	5.195	11	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	117.4700	0.000	1	120.4422	5.195	11	120.5348	6.281	115	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BFeH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(BFeH)	117.5983	0.390	3	117.5983	0.152	3	117.5983	0.152	3	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]H)	117.2750	0.030	2	117.2750	0.001	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	119.8150	0.000	1	119.8150	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	123.7880	0.000	1	120.2872	19.303	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]H)	123.9090	0.000	1	120.2872	19.303	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	119.2665	4.892	2	120.2872	19.303	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	115.2060	0.000	1	120.2872	19.303	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCH)	122.5230	0.000	1	122.5230	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	123.7210	0.732	6	123.7210	0.536	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCN)	115.8096	0.521	5	115.8096	0.271	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	123.5770	0.000	1	123.5770	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)	120.7250	0.000	1	120.7250	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CCC)	119.4977	1.970	4	119.4977	3.881	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CCO)	117.6000	0.000	1	117.6000	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CC[5a]H)	120.2550	0.000	1	120.2550	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.1929	0.849	7	122.1929	0.721	7	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)	115.9470	0.000	2	115.9470	0.000	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCC)	122.7585	3.309	2	122.7585	10.947	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCO)	116.3210	0.000	1	116.5340	0.091	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)	116.7470	0.000	1	116.5340	0.091	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	116.6755	0.663	4	120.4703	14.147	9	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	124.1920	0.368	2	120.4703	14.147	9	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	123.0490	1.799	3	120.4703	14.147	9	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.7510	0.098	2	122.7510	0.010	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCC)	119.9080	0.000	1	119.9080	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCH)	121.7050	0.000	1	121.7050	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCN)	113.3453	0.484	3	113.3453	0.235	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]H)	117.5053	0.579	3	117.5053	0.335	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]O)	122.4790	0.000	1	122.4790	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.9540	0.000	1	122.3573	2.041	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.0590	1.884	2	122.3573	2.041	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]N)	115.9190	0.000	1	115.9190	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)	117.7240	0.000	2	117.7240	0.000	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CN[5a]C)	114.8690	0.000	1	114.8690	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCO)	121.7460	0.000	1	121.7460	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	124.1545	0.032	2	124.0914	0.683	9	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]H)	124.9990	0.891	2	124.0914	0.683	9	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.7032	0.752	5	124.0914	0.683	9	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]C)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]C)	121.8320	0.000	1	121.8320	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	121.1610	0.000	1	121.1610	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCH)	120.6320	0.668	3	120.6320	0.446	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)	119.9500	0.000	1	119.9500	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	119.8950	0.000	1	119.8950	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[6])	113.6575	0.397	2	113.6575	0.157	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.3277	2.966	3	118.3277	8.800	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)	119.1680	0.000	1	119.1680	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C[5])	113.1600	0.000	1	113.1600	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.8065	0.745	2	121.8065	0.554	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCC)	120.1900	0.000	1	120.2910	2.967	15	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	123.3495	0.865	2	120.2910	2.967	15	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(CCC)	119.9420	0.000	1	120.2910	2.967	15	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	118.7302	1.388	5	120.2910	2.967	15	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCC)	120.6580	0.000	1	120.2910	2.967	15	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CCC)	120.8003	0.735	3	120.2910	2.967	15	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCC)	120.2730	0.000	1	120.2910	2.967	15	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	120.5510	0.000	1	120.2910	2.967	15	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCH)	120.0722	2.221	5	120.0722	4.933	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCN)	116.8050	0.000	1	119.7710	17.594	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCN)	122.7370	0.000	1	119.7710	17.594	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)	116.9590	0.000	1	120.5380	7.265	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)	121.9410	0.000	1	120.5380	7.265	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)	121.6260	2.157	2	120.5380	7.265	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[3]N)	117.6895	1.626	2	117.6895	2.643	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)	118.8390	0.075	2	118.8390	0.006	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	119.3910	0.000	1	121.1555	2.125	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	121.8590	2.414	2	121.1555	2.125	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	121.4630	0.000	1	121.1555	2.125	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CC[5a]H)	121.7280	0.000	1	121.1555	2.125	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]H)	120.6330	0.000	1	121.1555	2.125	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)	121.3820	0.000	1	121.3820	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]S)	122.8430	1.902	2	122.8430	3.618	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	120.4920	0.000	1	118.8981	2.926	11	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	123.3400	0.000	1	118.8981	2.926	11	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]2)	117.8825	0.274	2	118.8981	2.926	11	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]2)	118.3260	0.654	7	118.8981	2.926	11	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	120.5530	0.000	1	117.5682	7.199	18	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	119.8090	0.000	1	117.5682	7.199	18	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	118.9704	2.220	9	117.5682	7.199	18	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C)	115.0189	0.987	7	117.5682	7.199	18	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	117.6365	0.179	2	117.6365	0.032	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.7248	0.846	4	123.0875	3.248	81	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.1545	0.261	2	123.0875	3.248	81	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	124.7257	1.017	22	123.0875	3.248	81	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.3058	1.442	30	123.0875	3.248	81	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	125.3560	0.000	1	123.0875	3.248	81	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|S<4>}	N(C[6a]C[6a]2)(CC[6a]H)	121.3950	0.000	1	123.0875	3.248	81	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]H)	122.5863	1.294	7	123.0875	3.248	81	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.3920	0.165	2	123.0875	3.248	81	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<2>,1|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	125.6720	0.000	1	123.0875	3.248	81	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	125.6517	0.311	4	123.0875	3.248	81	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	121.5695	1.460	4	123.0875	3.248	81	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.8190	0.000	1	123.0875	3.248	81	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.8625	0.022	2	123.0875	3.248	81	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]N)	119.5065	0.455	2	119.2310	1.201	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	120.2580	0.206	2	119.2310	1.201	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]N)	117.9285	0.317	2	119.2310	1.201	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)	122.4940	0.000	1	122.4940	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHN)	123.9140	0.000	1	123.4182	4.032	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CHN)	127.1030	0.000	1	123.4182	4.032	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CHN)	122.3730	0.810	4	123.4182	4.032	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)	120.5840	0.065	2	120.5840	0.004	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNP)	118.1530	0.304	2	118.1530	0.092	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNS)	123.8450	0.000	1	123.8450	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]N)	120.3820	0.011	2	120.3820	0.000	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CN[5a]C)	119.0000	0.000	1	119.0000	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5a]N)	124.2845	0.149	2	124.2845	0.022	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)	120.4720	0.000	1	120.4720	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPdN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPdN)	120.2300	0.000	1	118.5380	5.044	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPdN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CPdN)	117.6920	2.407	2	118.5380	5.044	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CSS)	120.3030	0.000	1	120.3030	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<2>,1|C<3>}	N(C[6a]C[6a]2)(CNO)	124.4520	0.000	1	124.4520	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.4077	0.839	7	122.4077	0.705	7	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){2|C<4>,3|C<3>}	N(C[6a]C[6a]2)(CCH)	123.9590	0.000	1	123.9590	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)	122.4030	0.000	1	122.4030	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CClC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC){1|Ti<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CClC)	120.4530	0.000	1	120.4530	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)	120.9050	0.000	1	120.9050	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCN)	121.6050	0.000	1	121.6050	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]C)	115.5090	0.000	1	115.5090	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.4630	0.000	1	121.4630	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	119.1980	0.000	1	119.1980	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CCO)	121.0720	3.080	2	121.0720	9.487	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.9960	0.000	1	123.6780	0.202	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	123.3600	0.000	1	123.6780	0.202	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CC[5a]H)	126.0440	0.000	1	126.0440	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)	124.1423	0.362	3	124.1423	0.131	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]S)	123.0385	3.282	2	123.0385	10.769	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.8109	1.330	10	123.9325	1.364	14	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	124.2365	0.658	4	123.9325	1.364	14	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	122.6660	0.000	1	123.4865	1.346	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)	124.3070	0.000	1	123.4865	1.346	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)	119.4960	0.000	1	119.4960	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	121.5840	0.000	1	121.5840	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	125.8220	0.000	1	125.5430	0.156	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	125.2640	0.000	1	125.5430	0.156	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	126.0300	0.000	1	126.0300	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	124.2151	0.801	7	124.2515	0.561	8	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]H)	124.5060	0.000	1	124.2515	0.561	8	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	124.9220	1.648	9	124.6750	1.528	21	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]H)	124.7530	0.000	1	124.6750	1.528	21	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.7817	0.100	3	124.6750	1.528	21	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]H)	124.7225	0.914	8	124.6750	1.528	21	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CNN)	122.7960	0.000	1	122.7960	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CN[5]O)	125.6690	0.000	1	125.6690	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	126.3490	0.000	1	126.3490	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]C)	120.0160	0.000	1	120.0160	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.1322	1.008	5	123.1322	1.015	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]N)	120.5700	0.133	2	120.5700	0.018	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CN[5]C)	121.4440	0.000	1	121.4440	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	N(C[6a]C[6a]2)(CC[6a]H)	121.1280	0.000	1	121.1280	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	124.0670	0.000	1	122.2800	6.387	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]H)	120.4930	0.000	1	122.2800	6.387	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CNO)	119.2010	0.000	1	119.2010	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)(CC[5a]H)	119.9377	2.814	4	119.9377	7.920	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C)	119.9985	4.296	2	118.2397	18.507	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]C)	114.7220	0.000	1	118.2397	18.507	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	123.0410	0.000	1	123.5289	1.868	15	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]H)	123.2828	1.520	10	123.5289	1.868	15	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	123.6945	0.148	2	123.5289	1.868	15	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	124.8375	1.009	2	123.5289	1.868	15	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCC)	123.1490	1.335	2	123.1490	1.782	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]H)	122.7660	0.000	1	122.7660	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]N[6])	116.7243	0.134	3	116.7243	0.018	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCC)	115.9974	0.231	8	118.2630	11.793	20	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCC)	119.7735	3.757	12	118.2630	11.793	20	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCH)	125.3068	0.416	6	125.3068	0.173	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCS)	115.6253	0.343	3	115.6253	0.118	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[5a]H)	123.2530	0.000	1	125.0608	1.666	9	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5a]H)	125.2867	1.174	8	125.0608	1.666	9	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5a]N[6])	116.5706	0.462	54	116.5706	0.213	54	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]H)	124.0880	0.000	1	124.1245	0.003	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]H)	124.1610	0.000	1	124.1245	0.003	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6]O)	119.2845	4.044	2	119.2845	16.353	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]2)	123.2900	0.000	1	121.7457	2.900	10	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]2)	120.3082	0.827	5	121.7457	2.900	10	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]2)	123.1565	0.947	4	121.7457	2.900	10	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]C)	116.4053	0.525	15	116.9375	2.597	44	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C)	117.2277	1.936	28	116.9375	2.597	44	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C)	116.7970	0.000	1	116.9375	2.597	44	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]H)	118.4490	0.000	1	123.2408	2.372	76	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.0950	0.000	1	123.2408	2.372	76	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]H)	122.9806	1.496	42	123.2408	2.372	76	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	123.7245	1.370	27	123.2408	2.372	76	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	123.8353	0.400	4	123.2408	2.372	76	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	124.6680	0.000	1	123.2408	2.372	76	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)	119.0295	3.294	2	118.9913	5.431	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]O)	118.9150	0.000	1	118.9913	5.431	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CHO)	123.2860	0.000	1	123.2860	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CNN)	120.4060	0.977	2	121.6177	4.882	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNN)	124.0410	0.000	1	121.6177	4.882	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNS)	122.7800	0.000	1	122.7800	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCC)	115.9260	0.000	1	115.9260	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5a]H)	124.3040	0.000	1	124.3040	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	124.5070	1.704	2	120.6492	27.080	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	116.7915	4.337	2	120.6492	27.080	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]H)	114.8825	0.361	2	114.8825	0.131	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	126.0430	1.413	6	126.0430	1.996	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	125.9610	1.675	3	125.9610	2.807	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]N[6])	117.9352	0.446	4	117.9352	0.199	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCC)	119.7375	2.873	2	119.7375	8.254	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCH)	122.9860	0.781	2	122.9860	0.609	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCN)	122.1016	0.606	5	122.1016	0.368	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]H)	122.6882	4.112	13	122.6882	16.911	13	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)	126.8237	1.368	4	126.8237	1.872	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]2)	131.8380	0.000	1	131.8380	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]C)	123.0990	0.000	1	120.8787	5.704	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]C)	121.1850	0.000	1	120.8787	5.704	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CC[6a]C)	118.3520	0.000	1	120.8787	5.704	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	125.7130	0.000	1	124.6559	6.832	49	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	127.4460	0.000	1	124.6559	6.832	49	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	124.5188	2.631	40	124.6559	6.832	49	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	129.0010	0.181	2	124.6559	6.832	49	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	123.1890	0.000	1	124.6559	6.832	49	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	123.2593	0.459	4	124.6559	6.832	49	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]N[6])	118.3097	0.355	10	118.3097	0.126	10	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)	125.4380	0.000	1	125.4380	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNN)	121.3735	1.511	2	121.3735	2.283	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)	117.2610	0.000	1	117.2610	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNS)	120.4645	0.558	2	120.4645	0.311	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	121.8230	0.000	1	121.8230	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)(CC[5]C)	119.4180	0.000	1	119.4180	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.7900	1.264	4	122.6386	1.313	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CC[6a]H)	122.0330	0.000	1	122.6386	1.313	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]N)	123.9180	0.000	1	123.9180	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CCH)	124.3243	0.565	3	124.3243	0.319	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CCO)	121.1090	0.000	1	121.4710	0.262	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CCO)	121.8330	0.000	1	121.4710	0.262	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[5]O)	122.3850	0.000	1	122.3850	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[5a]H)	123.0040	0.139	2	123.0040	0.019	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6]H)	119.5985	1.443	2	119.5985	2.083	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]C)	118.0230	0.098	2	118.0230	0.010	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]H)	124.2031	1.100	23	124.2210	1.164	24	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(CC[6a]H)	124.6330	0.000	1	124.2210	1.164	24	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]N[6])	116.7890	0.011	2	116.7890	0.000	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CHN)	124.3150	0.000	1	124.3150	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CNN)	122.4832	1.898	5	122.4832	3.604	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CN[6]H)	123.9037	0.985	3	123.9037	0.970	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.6563	0.094	3	117.6563	0.009	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	122.1940	5.612	2	122.1940	31.490	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.6352	3.485	28	123.6352	12.144	28	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	120.4433	2.161	4	120.4433	4.672	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CNO)	119.7890	0.000	1	119.7890	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(COO)	124.5820	0.000	1	124.5820	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C)	117.1300	0.615	4	117.1300	0.379	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	124.2610	0.000	1	124.5850	0.210	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|N<2>}	N(C[6a]C[6a]2)(CC[6a]H)	124.9090	0.000	1	124.5850	0.210	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]N)	117.7320	0.000	1	117.7320	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]N[6])	117.7930	0.000	1	117.7930	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCC)	119.9425	2.050	2	119.9425	4.202	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)	117.2000	0.000	1	117.2000	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.2729	3.834	7	120.3991	13.186	11	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	120.6200	3.801	4	120.3991	13.186	11	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHN)	121.6530	0.000	1	121.6530	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	120.5123	2.152	12	120.5123	4.631	12	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	120.0010	5.754	2	120.0010	33.114	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)	120.7665	0.862	2	120.3328	6.909	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)	120.1160	3.328	4	120.3328	6.909	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	123.5200	0.000	1	123.5200	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)	116.5450	0.707	2	116.5450	0.500	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.0374	2.830	5	120.2626	13.775	66	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.1295	4.261	4	120.2626	13.775	66	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.7092	3.839	4	120.2626	13.775	66	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.3950	0.000	1	120.2626	13.775	66	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	120.6110	5.153	4	120.2626	13.775	66	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.0418	4.021	4	120.2626	13.775	66	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	120.4790	2.684	3	120.2626	13.775	66	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.7758	3.803	37	120.2626	13.775	66	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.4115	4.145	4	120.2626	13.775	66	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	117.1900	0.000	1	117.1900	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)	120.1550	2.319	2	120.1550	5.379	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)	120.6610	0.000	1	120.6610	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	122.5130	0.000	1	122.5130	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CSeN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CSeN)	125.4070	0.000	1	125.4070	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]H)	124.7710	0.000	1	124.7710	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.1923	4.075	4	120.2196	14.964	16	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	124.8470	0.000	1	120.2196	14.964	16	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.4290	1.366	2	120.2196	14.964	16	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.0643	3.285	3	120.2196	14.964	16	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	120.2585	6.563	2	120.2196	14.964	16	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.3325	3.899	4	120.2196	14.964	16	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHN)	120.2650	2.910	2	120.2650	8.471	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)	119.9445	3.532	2	119.9445	12.475	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	117.4980	0.000	1	117.4980	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.6513	4.025	4	120.3087	8.567	25	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.9400	0.000	1	120.3087	8.567	25	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.9586	2.759	20	120.3087	8.567	25	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)	120.1270	1.206	4	120.1270	1.455	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	119.6140	0.000	1	120.4521	6.484	49	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	120.9615	4.216	2	120.4521	6.484	49	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	120.8067	1.981	4	120.4521	6.484	49	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	120.6495	5.448	4	120.4521	6.484	49	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCC)	121.6055	7.413	2	120.4521	6.484	49	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCC)	120.9410	0.874	2	120.4521	6.484	49	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	120.3015	2.009	32	120.4521	6.484	49	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	120.0245	2.386	2	120.4521	6.484	49	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	122.8110	0.000	1	120.5347	12.129	29	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	116.7440	0.000	1	120.5347	12.129	29	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	119.1840	4.264	3	120.5347	12.129	29	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCH)	120.7655	2.902	4	120.5347	12.129	29	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCH)	121.1602	5.015	4	120.5347	12.129	29	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCH)	121.0470	4.308	6	120.5347	12.129	29	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	120.3637	2.728	6	120.5347	12.129	29	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCH)	120.5580	3.828	4	120.5347	12.129	29	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)	119.9140	0.000	1	120.6625	4.380	45	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCN)	120.5222	0.803	4	120.6625	4.380	45	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCN)	121.2760	1.023	4	120.6625	4.380	45	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCN)	120.9595	2.724	2	120.6625	4.380	45	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)	120.5882	2.455	30	120.6625	4.380	45	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCN)	120.7848	0.995	4	120.6625	4.380	45	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)	123.3860	0.000	1	120.5215	9.576	41	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)	120.4700	2.256	6	120.5215	9.576	41	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)	121.1465	7.065	2	120.5215	9.576	41	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCO)	121.6225	7.874	2	120.5215	9.576	41	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)	120.5405	6.244	2	120.5215	9.576	41	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)	120.3882	1.943	6	120.5215	9.576	41	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CCO)	120.7130	4.817	2	120.5215	9.576	41	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CCO)	120.5255	2.033	2	120.5215	9.576	41	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)	120.1349	2.904	14	120.5215	9.576	41	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)	120.3080	3.930	2	120.5215	9.576	41	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)	120.6220	4.653	2	120.5215	9.576	41	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCP)	120.3158	2.382	4	120.2157	3.535	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCP)	120.0155	0.726	2	120.2157	3.535	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCS)	120.1091	1.866	12	120.1091	3.482	12	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3]O)	120.4610	3.415	2	120.4610	11.664	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]C)	120.0476	1.174	8	120.0476	1.379	8	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]H)	120.3992	3.600	4	120.6545	15.422	8	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]H)	120.9098	4.780	4	120.6545	15.422	8	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]N)	121.7092	4.506	4	121.7092	20.304	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]O)	121.0280	6.009	2	120.7403	12.316	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)	120.4525	0.713	2	120.7403	12.316	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]S)	120.1315	1.958	12	120.1315	3.834	12	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]2)	120.2075	2.388	2	120.2075	5.702	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)	120.4330	0.499	2	120.5175	6.246	20	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)	120.6340	3.317	4	120.5175	6.246	20	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)	120.5422	4.396	4	120.5175	6.246	20	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]C)	121.1735	0.859	2	120.5175	6.246	20	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)	120.3039	1.905	8	120.5175	6.246	20	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	117.7780	0.000	1	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	121.1525	2.283	2	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	123.8340	0.263	2	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	117.9250	0.000	1	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	120.7295	4.434	2	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	120.4168	2.745	4	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	120.9803	4.254	6	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	120.3743	2.939	4	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[5a]H)	120.7036	3.045	12	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5a]H)	120.7469	3.517	8	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]H)	120.9289	4.279	16	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[5a]H)	120.8790	3.470	4	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[5a]H)	120.3870	3.380	2	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	120.4494	2.866	34	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	120.7775	4.638	2	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]H)	120.8302	3.108	6	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]H)	116.3290	0.000	1	120.6346	10.143	107	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]N)	120.6080	2.407	4	120.6080	5.794	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]C)	120.1925	3.152	4	120.1925	9.938	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	120.7040	7.784	2	120.7198	16.528	18	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	120.4465	4.987	2	120.7198	16.528	18	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]H)	121.3815	5.046	4	120.7198	16.528	18	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)	120.7226	3.932	8	120.7198	16.528	18	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6]H)	119.6745	2.610	2	120.7198	16.528	18	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)	123.2750	0.816	2	123.2750	0.666	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]S)	121.3595	1.947	2	120.5109	4.306	50	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]S)	121.2763	3.038	4	120.5109	4.306	50	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]S)	120.4028	2.019	44	120.5109	4.306	50	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	120.3980	0.000	1	120.3315	5.973	37	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	120.3165	1.102	2	120.3315	5.973	37	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]2)	120.4185	3.212	2	120.3315	5.973	37	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]2)	120.5557	1.631	6	120.3315	5.973	37	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	120.1640	1.293	14	120.3315	5.973	37	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]2)	120.3974	3.905	12	120.3315	5.973	37	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	119.8870	0.000	1	120.3732	4.480	96	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	118.5400	0.000	1	120.3732	4.480	96	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	120.3175	4.662	2	120.3732	4.480	96	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	120.5385	3.324	6	120.3732	4.480	96	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]C)	120.4955	0.611	6	120.3732	4.480	96	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C)	120.0625	1.843	2	120.3732	4.480	96	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]C)	120.6349	1.916	32	120.3732	4.480	96	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	120.2167	2.323	36	120.3732	4.480	96	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	120.2320	1.922	10	120.3732	4.480	96	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	120.2965	1.777	2	120.2965	3.158	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]Cl)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]Cl)	119.6450	0.115	2	119.6450	0.013	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.6451	3.642	7	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.1366	3.023	5	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.2788	4.182	4	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.9518	4.158	4	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.9980	0.000	1	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.0637	4.429	4	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.0130	0.000	1	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.6053	2.852	7	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	125.7769	0.410	7	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.3369	2.209	7	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.1370	0.000	1	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.4246	2.090	7	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	123.8680	0.000	1	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.2107	1.045	6	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	120.6897	3.525	6	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	124.9850	0.000	1	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.7418	3.313	42	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.6672	3.390	14	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.7351	3.456	112	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.5177	3.231	34	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.6956	3.900	14	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]H)	120.7181	3.662	50	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	120.9524	3.919	111	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	120.8499	3.667	116	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]H)	120.8344	3.701	32	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6a]H)	120.3394	3.327	48	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.3676	3.154	110	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.6627	3.426	52	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	120.6595	3.718	122	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.2685	5.009	4	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.1390	0.000	1	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.3045	1.347	2	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.5320	2.916	3	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	120.7570	2.684	3	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.1427	3.797	36	120.7162	12.548	975	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	120.9415	0.906	2	120.6479	2.784	42	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	120.7566	0.844	14	120.6479	2.784	42	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	120.4300	1.392	2	120.6479	2.784	42	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]N)	120.8983	2.483	4	120.6479	2.784	42	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	120.5179	2.119	18	120.6479	2.784	42	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	120.4805	2.493	2	120.6479	2.784	42	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	122.7360	0.000	1	120.2076	8.534	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	118.0070	1.076	4	120.2076	8.534	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	120.3545	7.046	2	120.2076	8.534	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	120.3040	2.295	2	120.2076	8.534	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	120.2215	5.617	2	120.2076	8.534	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)	120.6080	5.405	2	120.2076	8.534	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	120.5980	2.426	12	120.2076	8.534	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	120.3450	3.161	2	120.2076	8.534	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]S)	120.3697	1.248	4	120.3313	1.262	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)	120.2545	1.273	2	120.3313	1.262	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]Se)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]Se)	120.5235	0.965	8	120.3007	5.802	14	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]Se)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]Se)	120.0037	3.687	6	120.3007	5.802	14	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CFeRh)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CFeRh)	120.3870	3.483	4	120.3870	12.133	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHN)	119.3220	0.000	1	120.5772	4.297	9	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHN)	120.7340	1.806	2	120.5772	4.297	9	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CHN)	120.7342	2.423	6	120.5772	4.297	9	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CIrP)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CIrP)	120.4955	4.276	2	120.4955	18.283	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CIrS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CIrS)	121.2920	3.321	2	121.2920	11.026	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CMnO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CMnO)	120.4600	1.549	2	120.4600	2.398	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNN)	120.5845	1.590	4	120.8249	5.926	58	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)	120.8985	0.168	2	120.8249	5.926	58	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CNN)	121.2910	2.846	6	120.8249	5.926	58	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNN)	120.8845	3.884	4	120.8249	5.926	58	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNN)	120.8425	3.320	4	120.8249	5.926	58	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)	120.7646	2.380	38	120.8249	5.926	58	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)	117.6030	0.000	1	120.5410	10.342	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)	121.4870	5.237	2	120.5410	10.342	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)	117.1050	0.000	1	120.5410	10.342	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)	120.8540	4.499	2	120.5410	10.342	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)	120.9013	3.791	8	120.5410	10.342	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNO)	120.4965	3.611	6	120.5410	10.342	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)	121.0028	3.138	4	120.5410	10.342	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNO)	120.6330	0.962	2	120.5410	10.342	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)	119.7510	0.000	1	120.5410	10.342	27	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNP)	120.6705	4.030	2	120.4995	3.530	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNP)	120.4140	0.664	4	120.4995	3.530	6	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)	120.3680	6.411	2	120.5244	12.040	22	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNS)	119.9660	2.092	2	120.5244	12.040	22	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNS)	120.9347	3.272	4	120.5244	12.040	22	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)	120.4831	3.847	12	120.5244	12.040	22	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNS)	120.6660	3.321	2	120.5244	12.040	22	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[3]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[3]C)	120.1075	3.331	4	120.1075	11.097	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	120.2740	0.436	2	120.3042	2.635	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	120.3345	2.777	2	120.3042	2.635	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]S)	120.1500	4.521	2	120.1500	20.442	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]C)	120.3820	3.053	2	120.3820	9.323	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5a]H)	120.8990	6.474	2	120.8990	41.916	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5a]N)	120.7223	3.302	10	120.7223	10.904	10	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]N[6])	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]N[6])	120.4590	4.305	2	120.4590	18.532	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]O)	120.6080	5.011	2	120.6080	25.106	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]C)	120.8805	1.916	2	120.8805	3.669	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	119.2720	0.000	1	120.7332	3.125	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	121.5230	2.486	2	120.7332	3.125	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	120.6740	1.711	2	120.7332	3.125	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]S)	120.1840	2.506	2	120.1840	6.280	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)	120.6760	2.349	12	120.6367	5.637	14	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)	120.4010	3.528	2	120.6367	5.637	14	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(COS)	120.3875	1.049	2	120.3875	1.100	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPS)	120.4657	3.424	4	120.4657	11.724	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CP[5]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CP[5]O)	120.3550	0.420	2	120.3550	0.176	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPdC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CPdC)	121.0015	7.524	2	121.0015	56.615	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRh2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CRh2)	119.5755	2.523	4	119.5755	6.365	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CSS)	120.8985	4.762	2	120.2200	6.304	8	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CSS)	120.7375	3.256	2	120.2200	6.304	8	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CSS)	119.6220	1.628	4	120.2200	6.304	8	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CSeN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CSeN)	115.1010	0.000	1	115.1010	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	119.8640	0.000	1	119.8640	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	123.9020	0.000	1	123.9020	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.9774	2.994	7	120.9774	8.964	7	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)	122.4490	0.000	1	122.4490	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[5a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]2)	119.6950	0.595	2	119.6950	0.354	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	122.3550	0.000	1	122.3550	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	119.7610	4.303	4	119.7610	18.516	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	120.4908	3.561	6	120.2631	13.252	8	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	119.5800	5.303	2	120.2631	13.252	8	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	122.4543	0.983	4	122.4543	0.967	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)	119.8715	3.516	2	119.8715	12.365	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]P)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)	119.3770	4.977	2	119.3770	24.767	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.1350	0.000	1	116.1350	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)	123.1260	0.000	1	123.1260	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCH)	121.3265	3.873	2	121.3265	14.999	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]S)	121.4105	1.122	2	121.4105	1.259	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.6745	2.767	2	120.6745	7.656	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(NC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHN)	121.6215	4.301	2	121.6215	18.501	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)	121.0450	4.944	2	121.0450	24.444	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	122.4600	4.606	3	122.4600	21.215	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)	118.8510	0.000	1	118.8510	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	119.2725	2.012	2	118.1735	3.122	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	117.0745	0.698	2	118.1735	3.122	4	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	119.9700	0.000	1	119.9700	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	119.5480	0.000	1	120.0835	0.574	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	120.6190	0.000	1	120.0835	0.574	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	115.9270	0.606	7	118.8196	10.061	29	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.0373	2.173	7	118.8196	10.061	29	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.1940	0.000	1	118.8196	10.061	29	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.1081	2.455	7	118.8196	10.061	29	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	115.8920	0.000	1	118.8196	10.061	29	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.5292	1.208	6	118.8196	10.061	29	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)	120.6690	5.066	2	120.6690	25.661	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(NC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCS)	115.9910	0.000	1	115.9910	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C)	117.9300	0.926	2	117.8083	0.473	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C)	117.5650	0.000	1	117.8083	0.473	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCS)	119.0370	0.443	3	119.0370	0.197	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C)	118.5367	0.814	3	118.5367	0.662	3	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCH)	117.0210	0.000	1	117.0210	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)	118.6840	0.000	1	118.6840	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]2)	130.7515	0.221	2	130.7515	0.049	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[6])	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C[6])	113.1110	0.000	1	113.1110	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]H)	124.6214	1.694	5	124.6214	2.871	5	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]Pd)	121.9530	0.000	2	121.9530	0.000	2	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	116.8490	0.000	1	116.8490	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|N<3>,1|O<1>,1|S<2>}	N(C[6a]C[6a]2)(COO)	126.3730	0.000	1	126.3730	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]H)	124.6700	0.000	1	124.6700	0.000	1	120.8139	10.825	2952	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(NC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(NC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[4]C[4]2)	119.8591	3.038	14	119.8591	9.227	14	119.8591	9.227	14	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(C[5]N[5]2)	123.5720	0.000	1	123.5720	0.000	1	120.8979	9.187	21	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(C[5]N[5]2)	123.4115	1.241	2	123.4115	1.540	2	120.8979	9.187	21	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]N[5]2)	118.4270	0.000	1	118.4270	0.000	1	120.8979	9.187	21	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NC[5]){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)	119.5420	0.321	2	119.5420	0.103	2	120.8979	9.187	21	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[5]C[5]2)	120.7320	6.015	4	120.8493	23.091	6	120.8979	9.187	21	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)	121.0840	2.596	2	120.8493	23.091	6	120.8979	9.187	21	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]N[5]2)	121.2290	0.000	1	120.6503	4.564	9	120.8979	9.187	21	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]N[5]2)	120.5780	2.272	8	120.6503	4.564	9	120.8979	9.187	21	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[6]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)	121.9210	0.000	1	121.9210	0.000	1	120.0171	9.090	38	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)	116.7170	0.339	2	117.7430	3.216	3	120.0171	9.090	38	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)	119.7950	0.000	1	117.7430	3.216	3	120.0171	9.090	38	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)	116.3060	3.541	3	116.3060	12.538	3	120.0171	9.090	38	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)	120.2160	0.000	1	120.2160	0.000	1	120.0171	9.090	38	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)	123.3480	0.000	1	123.3480	0.000	1	120.0171	9.090	38	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)	118.5330	0.000	1	118.5330	0.000	1	120.0171	9.090	38	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)	120.4766	2.201	8	120.5065	9.809	16	120.0171	9.090	38	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)	120.8190	4.419	2	120.5065	9.809	16	120.0171	9.090	38	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)	120.7717	5.081	4	120.5065	9.809	16	120.0171	9.090	38	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)	119.7830	3.837	2	120.5065	9.809	16	120.0171	9.090	38	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]N[6]2)	120.9878	4.670	4	120.5318	6.990	12	120.0171	9.090	38	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]N[6]2)	120.3515	1.824	4	120.5318	6.990	12	120.0171	9.090	38	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]N[6]2)	120.2560	0.275	4	120.5318	6.990	12	120.0171	9.090	38	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)2	116.0260	0.000	1	116.0260	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	113.2320	0.000	1	113.2320	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2	122.8250	0.000	1	122.8250	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	118.4200	0.000	1	118.4200	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	116.9860	0.000	1	116.9860	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2	121.7120	0.000	1	121.1162	5.823	10	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2	118.6605	5.946	2	121.1162	5.823	10	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2	121.7310	0.629	6	121.1162	5.823	10	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2	121.7430	0.000	1	121.1162	5.823	10	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2	122.3490	0.000	1	122.3490	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)2	119.1930	0.000	1	119.1930	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)2	123.6380	0.000	1	123.6380	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<2>}	N(C[6a]C[6a]2)2	126.6298	0.770	4	126.3177	1.591	17	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)2	126.2217	1.389	13	126.3177	1.591	17	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2	121.5130	0.000	1	121.5130	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)2	120.6460	0.000	1	120.6460	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	120.3350	0.000	1	120.3350	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	124.5180	0.000	1	124.5180	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	122.8580	0.000	1	122.8580	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)	120.5875	1.351	2	120.5875	1.826	2	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	120.6250	1.911	4	120.6250	3.653	4	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	119.4150	0.000	1	119.9527	2.815	6	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	120.7670	1.778	2	119.9527	2.815	6	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	120.6685	1.382	2	119.9527	2.815	6	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	117.4300	0.000	1	119.9527	2.815	6	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	120.0795	3.676	2	120.0795	13.515	2	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2	120.3127	2.329	18	120.6585	6.612	50	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2	120.8950	2.193	2	120.6585	6.612	50	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)2	121.3740	3.713	6	120.6585	6.612	50	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2	121.1350	3.903	2	120.6585	6.612	50	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)2	121.0700	3.595	4	120.6585	6.612	50	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2	120.6262	2.722	14	120.6585	6.612	50	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2	120.4857	0.606	4	120.6585	6.612	50	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.3640	0.000	1	120.1967	15.418	13	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.3517	4.944	6	120.1967	15.418	13	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.7910	6.396	2	120.1967	15.418	13	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.6252	1.369	4	120.1967	15.418	13	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.9520	1.259	2	118.9520	1.584	2	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2	119.8617	0.661	3	119.8617	0.437	3	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2	117.9110	0.000	1	117.9110	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2	123.8730	0.505	2	123.8730	0.255	2	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a])	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2	123.6180	0.000	1	123.6180	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]){1|Ir<8>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2	123.2360	0.000	1	123.2360	0.000	1	121.3396	10.394	127	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(NC[6a]N)	119.8230	0.028	2	119.8230	0.001	2	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a]O)	119.9290	0.000	1	119.9290	0.000	1	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NN){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)	126.8260	0.000	1	126.8260	0.000	1	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a]Co)	112.7190	0.000	1	112.7190	0.000	1	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Fe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a]Fe)	108.4100	0.000	1	108.4100	0.000	1	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Pd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a]Pd)	114.5280	0.000	1	114.5280	0.000	1	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Rh)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(NC[6a]Rh)	113.2350	0.000	1	112.9693	0.675	3	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Rh)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a]Rh)	112.8365	1.115	2	112.9693	0.675	3	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Ru)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a]Ru)	112.3690	0.000	1	112.3690	0.000	1	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a]Ni)	115.4290	0.000	1	115.4290	0.000	1	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Pt)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a]Pt)	113.3530	0.000	1	113.3530	0.000	1	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(NC[6a]H)	126.3700	0.000	1	126.3700	0.000	1	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a]H)	119.9887	6.924	4	119.9887	47.938	4	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a]O)	120.7110	12.290	2	120.7110	151.032	2	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NBO)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NBO)	120.6135	7.514	2	120.6135	56.467	2	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6]H)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6]H)	121.2480	9.239	2	121.2480	85.360	2	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Co)	119.3755	2.348	12	119.3755	5.515	12	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Fe)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Fe)	119.7441	2.483	8	119.7441	6.166	8	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a]H)	120.8075	6.936	8	120.6988	32.678	12	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)	120.4815	2.732	4	120.6988	32.678	12	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Ir)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]Ir)	120.4240	7.306	2	120.4240	53.375	2	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)	120.7110	10.435	4	120.6080	64.480	30	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)	120.8780	11.526	2	120.6080	64.480	30	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a]O)	121.0053	9.077	4	120.6080	64.480	30	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a]O)	120.9820	12.577	2	120.6080	64.480	30	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)	120.2764	7.337	14	120.6080	64.480	30	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a]O)	120.5175	12.154	2	120.6080	64.480	30	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a]O)	121.3745	12.393	2	120.6080	64.480	30	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Re)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Re)	118.9020	0.994	2	119.1103	2.826	4	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Re)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]Re)	119.3185	2.705	2	119.1103	2.826	4	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Ru)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Ru)	119.5730	3.379	6	119.5730	11.416	6	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCuC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NCuC)	119.3805	5.840	2	119.3805	34.106	2	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NFe2)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NFe2)	119.4475	0.705	2	119.4475	0.497	2	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NFeH)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NFeH)	119.9410	7.310	2	119.9410	53.437	2	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NIrH)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NIrH)	119.7455	7.069	2	119.7455	49.970	2	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NOsH)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NOsH)	120.1640	7.143	2	120.1640	51.025	2	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NReH)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NReH)	119.8580	7.603	2	119.8580	57.803	2	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Ir)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]Ir)	118.4170	2.008	4	118.4170	4.033	4	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Os)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|Os<6>,1|C<3>}	N(C[6a]C[6a]2)(NC[6a]Os)	119.5810	0.000	1	118.3550	3.006	2	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Os)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Os<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]Os)	117.1290	0.000	1	118.3550	3.006	2	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|Pd<4>,1|C<3>}	N(C[6a]C[6a]2)(NC[6a]Pd)	117.9570	2.176	3	118.6782	2.678	36	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(NC[6a]Pd)	119.7844	0.714	7	118.6782	2.678	36	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]Pd)	118.5718	1.134	17	118.6782	2.678	36	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a]Pd)	119.1238	1.201	6	118.6782	2.678	36	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a]Pd)	120.8180	0.000	1	118.6782	2.678	36	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<5>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]Pd)	114.3860	0.692	2	118.6782	2.678	36	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Ru)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|Ru<6>,1|C<3>}	N(C[6a]C[6a]2)(NC[6a]Ru)	117.1548	0.588	4	117.4802	0.789	5	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Ru)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ru<6>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(NC[6a]Ru)	118.7820	0.000	1	117.4802	0.789	5	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NRuH)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NRuH)	117.7650	0.000	1	117.7650	0.000	1	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Sn)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Sn<5>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]Sn)	115.9560	0.000	1	115.6386	1.729	5	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Sn)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Sn<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]Sn)	116.7880	0.276	2	115.6386	1.729	5	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Sn)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Sn<8>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]Sn)	114.3305	0.822	2	115.6386	1.729	5	119.1940	24.504	163	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(PC[6a]2)	122.5910	0.000	1	122.5910	0.000	1	122.5910	0.000	1	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si[5]-3:	C[6a](C[6a]C[6a]H)2(NSi[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(Si[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NSi[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(Si[5]C[5]2)	121.3600	0.803	2	121.3600	0.645	2	121.3600	0.645	2	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NN[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5a]B[5a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(N[5a]B[5a]C[5a])(C[6a]C[6a]2)	121.5230	13.299	2	120.8015	79.347	6	120.8015	79.347	6	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NN[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5a]B[5a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(N[5a]B[5a]C[5a])(C[6a]C[6a]2)	121.0460	13.586	2	120.8015	79.347	6	120.8015	79.347	6	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NN[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5a]B[5a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(N[5a]B[5a]C[5a])(C[6a]C[6a]2)	119.8355	5.679	2	120.8015	79.347	6	120.8015	79.347	6	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:I-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|H<1>,2|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	121.9680	1.061	2	121.9680	1.125	2	121.9680	1.125	2	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:I-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	119.2360	0.000	1	119.2360	0.000	1	119.2360	0.000	1	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	120.0320	0.000	1	120.0320	0.000	1	119.9088	1.929	11	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.7086	0.939	5	118.7086	0.882	5	119.9088	1.929	11	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	121.5265	0.247	2	121.5265	0.061	2	119.9088	1.929	11	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	120.3500	0.000	1	120.3500	0.000	1	119.9088	1.929	11	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]I)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]I)2(NC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	N(C[6a]C[6a]2)(CCO)	121.5700	0.000	1	121.5700	0.000	1	119.9088	1.929	11	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]I)2(NC)	C[6a](C[6a]C[6a]N)2(I)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]I)2(NC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(I){1|C<3>,2|I<1>}	N(C[6a]C[6a]2)(CCO)	120.4490	0.000	1	120.4490	0.000	1	119.9088	1.929	11	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[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:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(CC[6]H)	124.7585	0.131	2	124.7585	0.017	2	125.2657	0.389	7	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[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:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	125.6997	0.419	4	125.6997	0.175	4	125.2657	0.389	7	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[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:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	124.5440	0.000	1	124.5440	0.000	1	125.2657	0.389	7	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[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:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a]H)	123.4690	0.000	1	123.4690	0.000	1	123.4690	0.000	1	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C-3:	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NC)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)	113.8160	0.000	1	113.8160	0.000	1	113.8160	0.000	1	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(NN)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(NC[6a]Ni)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(NN){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a]Ni)	111.0450	0.000	1	111.0450	0.000	1	111.0450	0.000	1	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(CC[5a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(CC[5a]N)	124.9490	0.000	1	124.9490	0.000	1	126.0250	2.316	2	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(CHN)	127.1010	0.000	1	127.1010	0.000	1	126.0250	2.316	2	120.7283	10.994	4246	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NS){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)	123.1790	0.000	1	123.1790	0.000	1	123.1790	0.000	1	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(PC[6a]3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NP){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(PC[6a]3)	129.2540	0.000	1	129.2540	0.000	1	129.2540	0.000	1	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NS){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)	120.6340	0.000	1	120.6340	0.000	1	120.6340	0.000	1	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)	122.0280	0.000	1	122.0280	0.000	1	122.0095	0.001	2	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)	121.9910	0.000	1	121.9910	0.000	1	122.0095	0.001	2	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(PN3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(PN3)	121.0290	0.000	1	121.0290	0.000	1	121.3235	0.173	2	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(PN[5]2N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(PN[5]2N)	121.6180	0.000	1	121.6180	0.000	1	121.3235	0.173	2	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NS)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NS){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	120.2840	0.000	1	120.2840	0.000	1	120.2840	0.000	1	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)	121.7430	0.000	1	121.7430	0.000	1	122.5415	5.360	6	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)	121.8367	0.505	3	121.8367	0.255	3	122.5415	5.360	6	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CCCH)	123.9980	4.463	2	123.9980	19.921	2	122.5415	5.360	6	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)	122.7840	0.000	1	122.7840	0.000	1	122.7840	0.000	1	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)	121.3750	0.000	1	121.3750	0.000	1	121.3750	0.000	1	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)	119.1080	0.000	1	119.1080	0.000	1	119.1080	0.000	1	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)	120.1147	0.305	3	120.1147	0.093	3	120.1147	0.093	3	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	121.0630	0.000	1	121.0630	0.000	1	121.2370	0.268	3	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	121.8190	0.000	1	121.3240	0.490	2	121.2370	0.268	3	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	120.8290	0.000	1	121.3240	0.490	2	121.2370	0.268	3	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(PN[5a]3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PN[5a]3)	124.5460	0.000	1	124.5460	0.000	1	122.8976	12.820	7	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]F)2(NP)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(PC[6a]2P)	C[6a](C[6a]C[6a]F)2(NP){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(PC[6a]2P)	122.8005	4.153	2	122.8005	17.246	2	122.8976	12.820	7	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]F)2(NP)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]F)2(NP){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(PC[6a]3)	121.0840	0.396	2	121.0840	0.157	2	122.8976	12.820	7	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]F)2(NP)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F)	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]F)2(NP){1|N<2>,2|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(PC[6a]2C)	123.9840	6.917	2	123.9840	47.844	2	122.8976	12.820	7	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)	120.9177	0.244	3	120.9177	0.059	3	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)	120.2610	0.000	1	120.2610	0.000	1	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)	121.1840	0.000	1	121.1840	0.000	1	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|S<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]HH)	120.3310	0.402	3	120.3310	0.162	3	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)	121.5480	0.000	1	121.5480	0.000	1	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)	122.4840	0.000	1	122.4840	0.000	1	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CCCH)	122.9513	0.319	3	122.9513	0.102	3	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC3)	121.5840	0.000	1	121.5840	0.000	1	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)	123.2177	0.844	3	123.2177	0.713	3	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CCHH)	122.4510	0.164	2	123.5258	7.251	4	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CCHH)	124.6005	4.136	2	123.5258	7.251	4	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]HH)	121.4890	0.000	1	121.4890	0.000	1	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,3|N<3>}	N(C[6a]C[6a]2)(CCCH)	120.7860	0.000	1	120.7860	0.000	1	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CC)	124.8570	0.000	1	124.8570	0.000	1	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)	118.2700	0.000	1	118.2700	0.000	1	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CCHH)	116.1110	0.000	1	116.1110	0.000	1	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)	119.7390	0.000	1	119.7390	0.000	1	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)	123.2600	0.000	1	123.2600	0.000	1	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHP)	120.4950	1.585	4	120.4950	2.513	4	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)	121.1650	1.655	2	121.1650	2.738	2	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)	120.2280	0.000	1	121.1007	1.624	16	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)	120.8295	2.162	2	121.1007	1.624	16	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)	121.5660	1.376	2	121.1007	1.624	16	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)	121.1560	2.234	2	121.1007	1.624	16	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)	120.9335	2.341	2	121.1007	1.624	16	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)	121.4838	0.708	6	121.1007	1.624	16	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)	119.5100	0.000	1	121.1007	1.624	16	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHN)	120.8250	3.677	2	120.8250	13.520	2	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]CH)	121.0850	2.211	4	120.9782	5.095	6	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)	120.7645	3.266	2	120.9782	5.095	6	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)	120.5190	0.000	1	119.6967	0.945	3	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)	119.2855	0.936	2	119.6967	0.945	3	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CFe3)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CFe3)	120.9112	4.476	4	120.9112	20.031	4	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CFeNN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CFeNN)	120.9730	3.905	2	120.9730	15.246	2	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)	115.2140	0.107	2	119.7738	15.400	12	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)	120.6745	5.972	2	119.7738	15.400	12	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CH3)	120.9545	0.497	2	119.7738	15.400	12	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)	120.6000	4.084	6	119.7738	15.400	12	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHP)	120.6940	1.824	2	120.6940	3.328	2	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNOY)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNOY)	121.0470	3.316	2	121.0470	10.998	2	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRuNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CRuNO)	121.6865	6.351	2	121.6865	40.329	2	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CThSS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CThSS)	120.0580	3.001	2	120.0580	9.006	2	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CTiNO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CTiNO)	121.3835	5.000	2	121.3835	25.000	2	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CTiNS)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CTiNS)	120.7590	3.257	2	120.7590	10.608	2	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)	122.1960	0.000	1	122.1960	0.000	1	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)	124.4845	0.032	2	124.4845	0.001	2	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)	121.5310	0.000	1	121.5310	0.000	1	121.0872	6.448	95	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)	122.1240	0.000	1	122.1240	0.000	1	120.8090	3.458	2	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)	119.4940	0.000	1	119.4940	0.000	1	120.8090	3.458	2	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PN3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(PN3)	123.2150	1.007	4	123.2150	1.014	4	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(PNOO)	117.6833	0.945	4	117.6833	0.893	4	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC3)	119.4295	0.071	2	119.4295	0.005	2	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PCCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PCCN)	119.4290	0.402	2	119.4290	0.161	2	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)	125.1980	0.222	2	125.0883	0.053	4	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(PC[6a]3)	124.9785	0.245	2	125.0883	0.053	4	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PO3)	124.1180	0.000	1	124.1180	0.000	1	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PN[5a]3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(PN[5a]3)	119.6790	0.000	1	119.6790	0.000	1	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(PC[6a]3)	126.1380	0.000	1	126.1380	0.000	1	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[5]CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)(PC[5]CC)	124.3995	0.118	2	124.3995	0.014	2	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PCNS)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PCNS)	118.0780	0.000	1	118.0780	0.000	1	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)2(NP){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2O)	119.9065	0.581	2	119.9065	0.337	2	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PCNS)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PCNS)	123.0160	0.000	1	123.0160	0.000	1	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)	121.4400	4.081	6	121.4400	16.655	6	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2P)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2P)	121.4365	3.886	2	121.4365	15.098	2	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ru)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Ru)	120.2450	2.804	2	120.2450	7.865	2	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)	121.8335	6.703	2	121.2119	17.143	8	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(PC[6a]3)	121.6420	6.001	2	121.2119	17.143	8	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)	120.6860	3.503	4	121.2119	17.143	8	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PN3)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PN3)	120.5515	2.088	2	120.5515	4.360	2	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PNNO)	120.4203	0.770	4	120.4203	0.593	4	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NP)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)2(NP){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2O)	121.3580	0.153	2	121.3580	0.023	2	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NP){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(PC[6a]3)	126.3480	0.000	1	126.3480	0.000	1	121.4394	9.387	52	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-4:	C[6a](C[6a]C[6a]H)2(NP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[4]N[4]2S)	C[6a](C[6a]C[6a]H)2(NP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(P[4]N[4]2S)	121.1132	3.416	4	121.1132	11.666	4	121.1132	11.666	4	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[6]N[6]2N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(P[6]N[6]2N)	124.4920	0.000	1	124.4920	0.000	1	124.4920	0.000	1	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]CO)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(NS){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]CO)	117.8210	0.000	1	117.8210	0.000	1	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NS){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)	118.4540	0.000	1	118.4540	0.000	1	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)	118.6160	0.000	1	118.6160	0.000	1	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)	122.4320	0.000	1	122.4320	0.000	1	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)	119.6870	0.000	1	120.4603	4.333	3	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SCOO)	118.8760	0.000	1	120.4603	4.333	3	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(SCOO)	122.8180	0.000	1	120.4603	4.333	3	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(SC[6a]OO)	120.3705	1.528	2	120.6645	2.287	6	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SC[6a]OO)	118.6170	0.000	1	120.6645	2.287	6	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)	121.5430	1.100	3	120.6645	2.287	6	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	120.4110	2.547	2	120.4110	6.487	2	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[5a]OO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NS){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[5a]OO)	116.4830	0.000	1	116.4830	0.000	1	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	119.5090	0.000	1	119.5090	0.000	1	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	119.8680	0.000	1	119.6670	0.081	2	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	119.4660	0.000	1	119.6670	0.081	2	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SCCO)	122.8980	0.000	1	122.8980	0.000	1	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)	118.1670	0.000	1	119.8468	0.938	5	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(SC[6a]OO)	120.2570	0.450	2	119.8468	0.938	5	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)	120.2765	0.152	2	119.8468	0.938	5	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)	121.8540	0.000	1	121.8540	0.000	1	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(SC[6a]OO)	119.5103	0.356	3	119.5103	0.127	3	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	120.6590	0.000	1	120.6590	0.000	1	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)	120.2695	3.382	2	120.1577	4.215	4	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)	120.0460	1.075	2	120.1577	4.215	4	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	119.9200	0.000	1	120.0744	2.584	13	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)	120.1395	1.570	2	120.0744	2.584	13	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)	120.3420	1.049	2	120.0744	2.584	13	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	120.0535	2.323	6	120.0744	2.584	13	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)	119.8815	0.457	2	120.0744	2.584	13	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SNOO)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(SNOO)	120.2125	2.879	2	120.2125	8.287	2	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(SO3)	121.8700	8.157	2	121.8700	66.540	2	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NS)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NS){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)	121.8238	4.595	4	121.8238	21.116	4	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NS)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NS){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	122.5917	5.708	10	122.5917	32.584	10	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NS){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SCOO)	126.5000	0.000	1	126.5000	0.000	1	120.7195	9.940	66	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC3)	120.7210	0.000	1	120.7210	0.000	1	121.4583	1.202	9	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(NSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(NSi){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SiC3)	120.8730	0.792	2	120.8730	0.627	2	121.4583	1.202	9	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(NSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(NSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC3)	121.7763	1.196	6	121.7763	1.430	6	121.4583	1.202	9	121.2071	7.829	260	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C-4:C[6a]-3:	C[6a](C[6a]C[6a]F)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(CC[6a]C[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<2>,1|C<3>,1|F<1>}	N(CC[6a]C[5]2)(C[6a]C[6a]2)	122.1665	6.971	2	122.1665	48.600	2	122.1665	48.600	2	121.1928	8.837	20	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)	122.9410	0.000	1	122.9410	0.000	1	122.9410	0.000	1	121.1928	8.837	20	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)	120.5480	0.000	1	120.5480	0.000	1	120.7090	6.337	7	121.1928	8.837	20	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	120.8067	3.464	4	120.8067	11.998	4	120.7090	6.337	7	121.1928	8.837	20	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)	120.5940	1.392	2	120.5940	1.937	2	120.7090	6.337	7	121.1928	8.837	20	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	121.2413	4.009	4	121.2413	16.069	4	121.2602	12.909	6	121.1928	8.837	20	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]2Ru)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2Ru)(C[6a]C[6a]2)	121.2980	4.042	2	121.2980	16.336	2	121.2602	12.909	6	121.1928	8.837	20	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(P[4]N[4]2Ni)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(P[4]N[4]2Ni)(C[6a]C[6a]2)	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	121.1928	8.837	20	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	Si[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NSi[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(Si[4]N[4]2As)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NSi[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(Si[4]N[4]2As)(C[6a]C[6a]2)	122.2490	0.918	2	122.2490	0.842	2	122.2490	0.842	2	121.1928	8.837	20	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:I-1:	C[5,5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)	121.0150	0.000	1	121.0150	0.000	1	121.0150	0.000	1	121.1928	8.837	20	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	5:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[3]-5:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[3]C[6a]C[3]H[3]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[3]C[6a]C[3]H[3]C)(C[6a]C[6a]2)	118.1890	0.000	1	118.1890	0.000	1	118.1890	0.000	1	120.3393	5.543	3	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	5:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	Nb[6]-5:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NNb[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(Nb[6]N[6]2CN)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NNb[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(Nb[6]N[6]2CN)(C[6a]C[6a]2)	121.4145	2.037	2	121.4145	4.150	2	121.4145	4.150	2	120.3393	5.543	3	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	Nb[5,6]-6:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NNb[5,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(Nb[5,6]N[5,6]N[6]P[5]Cl2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NNb[5,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(Nb[5,6]N[5,6]N[6]P[5]Cl2)(C[6a]C[6a]2)	120.8335	3.746	4	120.8335	14.035	4	120.8335	14.035	4	120.0844	13.332	5	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	Nb[6,6]-6:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NNb[6,6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(Nb[6,6]N[6]2O[6]2N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NNb[6,6]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(Nb[6,6]N[6]2O[6]2N)(C[6a]C[6a]2)	117.0880	0.000	1	117.0880	0.000	1	117.0880	0.000	1	120.0844	13.332	5	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,4|C<3>}	N(C[6a]C[6a]2)(H)	122.5730	0.000	1	122.5730	0.000	1	121.5580	1.261	4	122.3770	16.696	9	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NH){1|Si<4>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)	120.2140	0.000	1	120.6345	0.354	2	121.5580	1.261	4	122.3770	16.696	9	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NH){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,2|C<3>}	N(C[6a]C[6a]2)(H)	121.0550	0.000	1	120.6345	0.354	2	121.5580	1.261	4	122.3770	16.696	9	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NH)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NH){1|Si<4>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)	122.3900	0.000	1	122.3900	0.000	1	121.5580	1.261	4	122.3770	16.696	9	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)	119.2580	0.000	1	119.2580	0.000	1	119.2580	0.000	1	122.3770	16.696	9	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C)	120.1400	0.000	1	120.1400	0.000	1	119.0450	2.398	2	122.3770	16.696	9	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OMg)	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OMg){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C)	117.9500	0.000	1	117.9500	0.000	1	119.0450	2.398	2	122.3770	16.696	9	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:1:	N[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(NH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[5,6a]N)(CN)	N(C[6a]N[5,6a]C[6a])(H)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(NH){1|O<2>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[5,6a]N)(CN){1|C<4>,3|C<3>}	N(C[6a]N[5,6a]C[6a])(H)	126.9700	0.000	1	126.9700	0.000	1	126.9700	0.000	1	122.3770	16.696	9	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:1:	N[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]C)(NH)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]N)(CN)	N(C[6a]N[5,6a]C[6a])(H)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]C)(NH){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]N)(CN){4|C<3>}	N(C[6a]N[5,6a]C[6a])(H)	130.8430	0.000	1	130.8430	0.000	1	130.8430	0.000	1	122.3770	16.696	9	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(OH)	N(C[6a]C[5a,6a]C[6a])(NC[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(NN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(NC[6a])	125.3190	0.000	1	125.3190	0.000	1	125.3190	0.000	1	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OC)	N(C[6a]C[6,6a]C[6a])(NC[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(NC[6a])	125.9570	0.000	1	125.9570	0.000	1	125.9570	0.000	1	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NO)	N(C[6a]C[6a,6a]C[6a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NO){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NO){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(OH)	120.4310	10.284	2	120.4310	105.764	2	120.4310	105.764	2	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NN){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	123.3160	0.000	1	123.3160	0.000	1	123.3160	0.000	1	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC)	N(C[6a]C[6a,6a]C[6a])(NC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6])	127.5090	0.000	1	127.5090	0.000	1	124.8432	2.159	8	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	125.5430	0.000	1	125.5430	0.000	1	124.8432	2.159	8	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	N(C[6a]C[6a,6a]C[6a])(NC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[5a])	123.5430	1.605	2	123.5430	2.576	2	124.8432	2.159	8	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	124.6520	0.687	4	124.6520	0.472	4	124.8432	2.159	8	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN)	123.7060	0.000	1	123.7060	0.000	1	123.7060	0.000	1	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.7300	0.000	1	115.7300	0.000	1	116.0054	0.105	7	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	116.2910	0.000	1	116.2910	0.000	1	116.0054	0.105	7	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.8880	0.499	2	115.8880	0.249	2	116.0054	0.105	7	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NN)	115.9375	0.233	2	116.0803	0.088	3	116.0054	0.105	7	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	116.3660	0.000	1	116.0803	0.088	3	116.0054	0.105	7	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.6830	0.000	1	115.6830	0.000	1	116.4572	0.602	5	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.2300	0.560	2	117.2300	0.314	2	116.4572	0.602	5	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	116.0715	0.063	2	116.0715	0.004	2	116.4572	0.602	5	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.5710	0.000	1	116.9774	1.166	5	116.9774	1.166	5	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN){4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.3290	0.855	4	116.9774	1.166	5	116.9774	1.166	5	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CIr)	118.1545	0.698	2	118.1545	0.487	2	118.1246	0.886	16	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CN)	115.9670	0.000	1	115.9670	0.000	1	118.1246	0.886	16	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPd)	118.3015	0.357	2	118.3015	0.128	2	118.1246	0.886	16	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPt)	118.3630	0.784	4	118.3630	0.615	4	118.1246	0.886	16	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP)	N(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPd)	117.8650	0.745	2	117.8650	0.555	2	118.1246	0.886	16	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPt)	118.1315	1.569	2	118.1315	2.462	2	118.1246	0.886	16	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	N(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CIr)	119.0950	0.663	2	119.0950	0.440	2	118.1246	0.886	16	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	N(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPd)	117.4800	0.000	1	117.4800	0.000	1	118.1246	0.886	16	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	125.1320	0.000	1	125.1013	0.033	3	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	125.0860	0.253	2	125.1013	0.033	3	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[6a])	124.9030	0.000	1	124.9030	0.000	1	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)	116.3315	0.211	2	116.3315	0.045	2	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.4866	1.376	8	118.7791	9.380	23	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	116.6340	1.058	2	118.7791	9.380	23	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	118.6737	3.858	13	118.7791	9.380	23	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(NN)	116.2600	0.457	2	116.3857	0.077	7	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	116.4360	0.228	5	116.3857	0.077	7	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC)	125.5680	0.000	1	125.5560	0.000	2	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC)	125.5440	0.000	1	125.5560	0.000	2	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5a])	125.7497	0.242	4	125.7497	0.059	4	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	125.3448	0.299	4	125.3195	0.185	11	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	125.3100	0.370	3	125.3195	0.185	11	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	124.9365	0.490	2	125.3195	0.185	11	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	125.1510	0.000	1	125.3195	0.185	11	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	126.1820	0.000	1	125.3195	0.185	11	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]N)2(OH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NN){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(OH){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	125.0440	0.000	1	125.0440	0.000	1	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.9100	0.000	1	117.9100	0.000	1	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]O)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]O)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	120.6148	6.236	6	120.6333	34.712	10	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]O)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]O)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	120.6610	6.270	4	120.6333	34.712	10	120.9446	19.644	65	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)	126.6000	0.000	1	126.6000	0.000	1	116.5502	20.184	14	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5a])	114.7950	0.000	1	114.7950	0.000	1	116.5502	20.184	14	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.6672	1.670	6	114.6672	2.788	6	116.5502	20.184	14	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.6370	1.767	4	115.6370	3.122	4	116.5502	20.184	14	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]S)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]S)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(NC[5a])	119.8785	9.394	2	119.8785	88.246	2	116.5502	20.184	14	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.9020	4.882	2	120.9020	23.833	2	120.9020	23.833	2	119.8595	19.385	128	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(NC[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(NC[6a])	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	122.0750	6.652	2	122.0750	44.255	2	122.0750	44.255	2	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	121.8650	5.739	8	121.8650	32.940	8	121.8182	28.653	18	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	121.9857	5.743	4	121.7808	28.500	10	121.8182	28.653	18	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	121.6442	5.609	6	121.7808	28.500	10	121.8182	28.653	18	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC[6a])	N(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC[6a]){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])2	125.6260	0.000	1	125.6260	0.000	1	125.6260	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OIr)	N(C[6a]C[6a,6a]C[6a])(NC[6]Ir)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OIr){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6]Ir)	125.0180	0.366	2	125.0180	0.134	2	125.4531	1.392	13	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OMg)	N(C[6a]C[6a,6a]C[6a])(NC[6a]Mg)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OMg){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]Mg)	126.0270	0.000	1	126.0270	0.000	1	125.4531	1.392	13	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(ONi)	N(C[6a]C[6a,6a]C[6a])(NC[6a]Ni)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(ONi){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]Ni)	124.3505	1.065	4	124.3505	1.135	4	125.4531	1.392	13	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OPd)	N(C[6a]C[6a,6a]C[6a])(NC[6a]Pd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OPd){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]Pd)	125.8543	0.815	3	125.8543	0.664	3	125.4531	1.392	13	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(ORe)	N(C[6a]C[6a,6a]C[6a])(NC[6]Re)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(ORe){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6]Re)	126.9060	0.000	1	126.9060	0.000	1	125.4531	1.392	13	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(ORh)	N(C[6a]C[6a,6a]C[6a])(NC[6a]Rh)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(ORh){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]Rh)	125.5930	0.000	1	125.5930	0.000	1	125.4531	1.392	13	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(ORu)	N(C[6a]C[6a,6a]C[6a])(NC[6a]Ru)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(ORu){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]Ru)	127.3630	0.000	1	127.3630	0.000	1	125.4531	1.392	13	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	129.3700	0.000	1	129.3700	0.000	1	129.3700	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(NN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(ONi)	N(C[6a]C[6a]2)(NC[6a]Ni)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(NN){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(ONi){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a]Ni)	126.5370	0.000	1	126.5370	0.000	1	126.5370	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	117.5280	0.000	1	117.5280	0.000	1	117.5280	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	120.4400	0.000	1	120.4400	0.000	1	117.3710	1.654	31	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	118.9110	0.778	2	118.9110	0.605	2	117.3710	1.654	31	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	117.9570	0.000	1	117.9570	0.000	1	117.3710	1.654	31	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.9038	0.849	22	116.8771	0.704	23	117.3710	1.654	31	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.2900	0.000	1	116.8771	0.704	23	117.3710	1.654	31	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CHN)	116.6230	0.000	1	117.8915	3.218	2	117.3710	1.654	31	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHN)	119.1600	0.000	1	117.8915	3.218	2	117.3710	1.654	31	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)	117.8880	0.000	1	117.8880	0.000	1	117.3710	1.654	31	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)	120.4370	0.000	1	120.4370	0.000	1	117.3710	1.654	31	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2	123.2960	4.641	2	123.2960	21.543	2	123.2960	21.543	2	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5])	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]){1|C<3>,2|H<1>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	120.6750	0.000	1	120.6750	0.000	1	120.6750	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)	120.9430	0.000	1	120.9430	0.000	1	120.9430	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNN)	119.5985	0.203	2	119.8863	1.549	4	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)	120.1740	2.068	2	119.8863	1.549	4	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CNN)	118.7335	1.857	4	118.7335	3.450	4	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCC)	123.8830	0.000	1	123.8830	0.000	1	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)	119.1960	0.000	1	119.1960	0.000	1	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	125.7620	0.000	1	125.7620	0.000	1	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	120.7200	0.000	1	120.7200	0.000	1	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	124.4540	0.000	1	125.2552	0.318	9	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	125.3554	0.510	8	125.2552	0.318	9	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCS)	125.4687	0.297	3	125.4687	0.088	3	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	121.7798	2.424	4	121.1046	6.685	5	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	118.4040	0.000	1	121.1046	6.685	5	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)	121.1650	3.937	2	121.1650	15.501	2	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	118.3560	0.000	1	119.3783	0.842	6	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	119.5828	0.860	5	119.3783	0.842	6	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C)	124.4080	0.000	1	124.8069	0.368	16	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	124.8335	0.618	15	124.8069	0.368	16	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.5180	0.000	1	118.0953	3.623	57	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.8713	1.178	10	118.0953	3.623	57	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	125.0715	4.907	2	118.0953	3.623	57	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.3170	0.000	1	118.0953	3.623	57	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.7614	1.180	41	118.0953	3.623	57	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	116.5640	0.000	1	118.0953	3.623	57	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.9580	0.000	1	118.0953	3.623	57	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)	120.6700	1.063	2	120.6700	1.131	2	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)	118.4330	0.000	1	118.4330	0.000	1	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.6050	0.686	2	117.6050	0.470	2	120.3060	11.053	115	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]N[5]2)	117.2430	0.000	1	117.2430	0.000	1	117.2430	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2	118.3670	0.000	1	118.3670	0.000	1	115.0262	4.053	5	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)2	114.1910	0.868	4	114.1910	0.754	4	115.0262	4.053	5	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NRh)	N(C[6a]C[6a]2)(NC[6a]Rh)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NRh){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Rh)	127.5400	0.000	1	127.5400	0.000	1	127.5400	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	117.2986	1.133	5	117.2986	1.284	5	117.2986	1.284	5	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)	115.0130	0.000	1	115.0130	0.000	1	115.0130	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[5]C[5,6]S[5])(C[6a]C[6a]2)	118.2870	0.000	1	118.2870	0.000	1	121.8579	23.297	9	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	120.4440	0.000	1	120.4440	0.000	1	121.8579	23.297	9	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	121.4430	0.000	1	121.4430	0.000	1	121.8579	23.297	9	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[5]C[5]O[5])(C[6a]C[6a]2)	118.2550	0.000	1	118.2550	0.000	1	121.8579	23.297	9	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)	120.0290	0.000	1	120.0290	0.000	1	121.8579	23.297	9	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	119.2270	0.000	1	118.9610	0.142	2	121.8579	23.297	9	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	118.6950	0.000	1	118.9610	0.142	2	121.8579	23.297	9	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	130.1705	0.077	2	130.1705	0.006	2	121.8579	23.297	9	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	118.5680	0.000	1	118.5680	0.000	1	118.5680	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	116.5300	0.000	1	116.5300	0.000	1	119.9360	23.202	2	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	123.3420	0.000	1	123.3420	0.000	1	119.9360	23.202	2	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(OC[5])	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(NC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(OC[5]){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[5]H)	128.3005	0.390	2	128.3005	0.152	2	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	121.4470	4.796	2	121.4470	22.998	2	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	117.8340	0.000	1	117.8340	0.000	1	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)	119.1460	0.955	5	119.1460	0.913	5	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	119.1209	2.864	7	119.1209	8.200	7	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C)	119.2990	0.000	1	119.8063	9.422	3	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]C)	123.0980	0.000	1	119.8063	9.422	3	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.0220	0.000	1	119.8063	9.422	3	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.1170	0.000	1	117.3715	1.320	20	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.5820	0.000	1	117.3715	1.320	20	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	118.3400	0.000	1	117.3715	1.320	20	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.8571	1.112	12	117.3715	1.320	20	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	118.2565	0.596	4	117.3715	1.320	20	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.0800	0.000	1	117.3715	1.320	20	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)	114.6940	0.000	1	114.6940	0.000	1	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)	120.8905	2.536	2	120.8905	6.433	2	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)	119.2660	0.730	2	119.2660	0.533	2	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.0215	2.198	6	118.0215	4.833	6	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	124.2346	0.236	10	124.3155	0.068	14	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	124.5178	0.228	4	124.3155	0.068	14	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	118.6540	0.000	1	118.6540	0.000	1	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	126.7443	0.094	3	120.7818	39.547	9	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	117.8005	5.592	6	120.7818	39.547	9	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	115.1425	1.959	4	115.1425	3.837	4	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	115.0205	1.365	6	115.4336	6.252	30	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	115.0840	0.000	1	115.4336	6.252	30	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	112.3730	0.013	2	115.4336	6.252	30	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.0083	2.826	19	115.4336	6.252	30	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	114.4490	0.337	2	115.4336	6.252	30	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)	118.7940	0.000	1	118.7940	0.000	1	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	109.0600	0.000	1	109.0600	0.000	1	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	114.1487	3.778	3	114.1487	14.272	3	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]O)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]O)2(NC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(COO)	119.8645	0.189	2	119.8645	0.036	2	118.4190	17.043	116	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)	118.1170	0.000	1	118.1170	0.000	1	118.1170	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2	119.4230	0.000	1	119.4230	0.000	1	119.4230	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a]H)	114.4860	0.000	1	114.4860	0.000	1	122.4707	53.106	3	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ONi)	N(C[6a]C[6a]2)(NC[6a]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ONi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Ni)	124.1630	0.000	1	124.1630	0.000	1	122.4707	53.106	3	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OPt)	N(C[6a]C[6a]2)(NC[6a]Pt)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OPt){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Pt)	128.7630	0.000	1	128.7630	0.000	1	122.4707	53.106	3	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	120.4600	0.000	1	120.4600	0.000	1	120.4600	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	116.1820	0.000	1	116.1820	0.000	1	117.7730	5.169	44	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)	118.6010	0.000	1	118.6010	0.000	1	117.7730	5.169	44	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	117.1115	0.117	2	117.1115	0.014	2	117.7730	5.169	44	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	118.6545	0.390	2	118.6545	0.152	2	117.7730	5.169	44	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	122.1215	0.284	2	122.1215	0.080	2	117.7730	5.169	44	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.7352	0.910	9	116.7352	0.828	9	117.7730	5.169	44	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	116.4450	0.000	1	116.4450	0.000	1	117.7730	5.169	44	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)	117.7650	0.000	1	117.7650	0.000	1	117.7730	5.169	44	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.5670	0.723	3	117.5670	0.522	3	117.7730	5.169	44	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	124.5475	0.049	2	124.5475	0.002	2	117.7730	5.169	44	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(CN[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]H)	117.6110	0.987	3	117.6110	0.974	3	117.7730	5.169	44	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	116.5315	0.006	2	116.5315	0.000	2	117.7730	5.169	44	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.3131	0.926	11	116.3131	0.857	11	117.7730	5.169	44	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)	119.8730	2.060	4	119.8730	4.244	4	117.7730	5.169	44	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]N[5]2)	118.1745	1.327	2	118.1745	1.762	2	118.1745	1.762	2	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)	122.4540	0.000	1	122.4540	0.000	1	122.4540	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a])	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	125.2220	0.000	1	125.2220	0.000	1	125.2220	0.000	1	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(ONi)	N(C[6a]C[6a]2)(NC[6a]Ni)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(ONi){1|C<3>,1|C<4>,1|O<1>}	N(C[6a]C[6a]2)(NC[6a]Ni)	125.5500	1.260	2	125.5500	1.588	2	125.5500	1.588	2	119.4908	15.896	384	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	120.8210	0.557	2	120.8210	0.310	2	120.8210	0.310	2	120.3218	4.474	12	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	N(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	120.3218	4.474	12	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	119.6370	0.813	2	119.6370	0.661	2	119.6370	0.661	2	120.3218	4.474	12	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)	117.2940	0.000	1	117.2940	0.000	1	120.8690	25.561	2	120.3218	4.474	12	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)	124.4440	0.000	1	124.4440	0.000	1	120.8690	25.561	2	120.3218	4.474	12	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(P[6]N[6]2N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(P[6]N[6]2N)	117.3550	0.000	1	117.3550	0.000	1	117.3550	0.000	1	120.3218	4.474	12	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	118.6070	0.000	1	118.6070	0.000	1	118.6070	0.000	1	120.3218	4.474	12	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	121.6017	1.410	3	121.6017	1.989	3	121.6017	1.989	3	120.3218	4.474	12	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(H)	121.6320	0.000	1	121.6320	0.000	1	121.6320	0.000	1	120.0413	11.422	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)	123.9270	0.000	1	123.9270	0.000	1	123.9270	0.000	1	120.0413	11.422	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N)	119.7680	0.495	2	119.7680	0.245	2	119.7680	0.245	2	120.0413	11.422	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(C)	118.2476	0.326	5	118.4016	0.212	7	118.4016	0.212	7	120.0413	11.422	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,5|C<3>}	N(C[6a]C[6a]2)(C)	118.7865	0.658	2	118.4016	0.212	7	118.4016	0.212	7	120.0413	11.422	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(O)	115.3240	0.000	1	115.3240	0.000	1	115.3240	0.000	1	120.0413	11.422	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)	116.2150	0.000	1	116.2150	0.000	1	118.8675	4.862	4	120.0413	11.422	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)	118.5090	0.000	1	118.8400	0.219	2	118.8675	4.862	4	120.0413	11.422	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)	119.1710	0.000	1	118.8400	0.219	2	118.8675	4.862	4	120.0413	11.422	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)	121.5750	0.000	1	121.5750	0.000	1	118.8675	4.862	4	120.0413	11.422	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N)	120.7910	0.000	1	120.7910	0.000	1	120.7910	0.000	1	120.0413	11.422	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	N(C[6a]C[6a]2)(O)	125.5380	0.000	1	125.5380	0.000	1	125.5380	0.000	1	120.0413	11.422	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:1:	N[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NH)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6,6a]N)(C[6a]C[6a]H)	N(C[6a]N[6,6a]C[6a])(H)	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[6a](C[6a]C[6a]N[6a])(C[6a]N[6,6a]N)(C[6a]C[6a]H){1|C<2>,1|H<1>,4|C<3>}	N(C[6a]N[6,6a]C[6a])(H)	129.7550	0.000	1	129.7550	0.000	1	129.7550	0.000	1	120.0413	11.422	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(NS)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H)	N(C[6a]C[5,6a]C[6a])(SN)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(NS){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(SN)	130.7075	0.139	2	130.7075	0.019	2	130.7075	0.019	2	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(NN)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(N[5]C[5]2)	N(C[6a]C[5a,6a]C[6a])(NC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(NN){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(NC[6a])	118.6000	0.000	1	118.6000	0.000	1	118.6000	0.000	1	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H)	N(C[6a]C[6a,6a]C[6a])(NN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NN){2|H<1>,5|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>}	N(C[6a]C[6a,6a]C[6a])(NN)	122.9020	0.000	1	122.9020	0.000	1	122.9020	0.000	1	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BOO)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[5a])	117.4040	0.000	1	117.4040	0.000	1	116.8000	0.197	5	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BOO)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BOO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	116.6490	0.334	4	116.6490	0.111	4	116.8000	0.197	5	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CPt)	119.0290	0.000	1	119.0290	0.000	1	119.0290	0.000	1	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.7020	0.000	1	114.7020	0.000	1	117.8808	3.717	22	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	115.7215	0.268	2	115.7215	0.072	2	117.8808	3.717	22	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.5950	0.000	1	115.5950	0.000	1	117.8808	3.717	22	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	118.9525	0.231	2	118.9525	0.053	2	117.8808	3.717	22	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	117.7890	0.000	1	117.7890	0.000	1	117.8808	3.717	22	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5a])	119.2120	0.000	1	119.2120	0.000	1	117.8808	3.717	22	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.8828	1.141	12	117.8828	1.303	12	117.8808	3.717	22	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	118.3720	0.000	1	118.3720	0.000	1	117.8808	3.717	22	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NN)	123.7650	0.000	1	123.7650	0.000	1	117.8808	3.717	22	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NN){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(NN)	116.1830	0.000	1	116.1830	0.000	1	116.1830	0.000	1	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B-2:	C[6a](C[6a]C[6a]2)2(NB)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(BN[6])	C[6a](C[6a]C[6a]2)2(NB){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(BN[6])	120.3855	0.056	2	120.3855	0.003	2	120.3855	0.003	2	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCo)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CCo)	118.7780	0.986	30	118.7780	0.971	30	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCr)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|F<1>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CCr)	118.7785	0.936	2	118.5594	0.422	12	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCr)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CCr)	118.2565	0.188	6	118.5594	0.422	12	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCr)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|Cl<1>,1|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CCr)	119.4885	1.018	2	118.5594	0.422	12	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCr)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CCr)	118.3200	0.259	2	118.5594	0.422	12	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCu)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CCu)	118.1938	0.937	24	118.1938	0.877	24	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CFe)	118.6421	0.636	12	118.6421	0.405	12	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CMn)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CMn)	118.6430	0.295	4	118.6430	0.087	4	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CMo)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CMo)	118.6447	0.476	29	118.9001	0.464	43	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CMo)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|Cl<1>,1|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CMo)	119.5750	0.506	10	118.9001	0.464	43	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CMo)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CMo)	119.0650	1.195	4	118.9001	0.464	43	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CNi)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CNi)	118.5514	1.168	30	118.5514	1.363	30	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CO)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CO)	119.1990	2.485	2	119.1990	6.174	2	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CPd)	118.2424	0.833	55	118.2424	0.694	55	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CPt)	118.3712	0.956	20	118.3712	0.914	20	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CW)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CW)	118.4084	0.347	8	118.4084	0.121	8	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CMo)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC){1|Mo<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CMo)	119.2370	0.000	1	119.2370	0.000	1	118.5307	0.816	241	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)2	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)2{3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(NC[6a])	116.9740	1.300	2	116.9740	1.689	2	119.0101	21.868	25	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(NC)	117.7260	0.000	1	117.7260	0.000	1	119.0101	21.868	25	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.5420	0.000	1	117.5420	0.000	1	119.0101	21.868	25	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NN)	116.9930	0.000	1	116.7565	0.112	2	119.0101	21.868	25	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(NN)	116.5200	0.000	1	116.7565	0.112	2	119.0101	21.868	25	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(NN)	113.7760	0.000	1	113.7760	0.000	1	119.0101	21.868	25	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)2(NN){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(NN)	119.8846	6.218	12	119.9304	26.949	18	119.0101	21.868	25	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)2(NN){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(NN)	120.0220	2.559	6	119.9304	26.949	18	119.0101	21.868	25	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-2:	C[6a](C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PN)	C[6a](C[6a]C[6a]2)2(NP){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(PN)	120.1240	3.482	2	120.1240	12.123	2	120.1240	12.123	2	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6]C)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6]C){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NC[6a])	120.5650	0.000	1	120.5650	0.000	1	120.3600	0.084	2	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6a]C)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6a]C){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.1550	0.000	1	120.1550	0.000	1	120.3600	0.084	2	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CMo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CMo)	118.0480	0.198	2	118.0480	0.039	2	120.6798	8.915	6	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CW)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CW)	117.8150	0.000	1	117.8150	0.000	1	120.6798	8.915	6	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CMo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CMo)	123.5875	0.462	2	123.5875	0.213	2	120.6798	8.915	6	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CW)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CW)	122.9930	0.000	1	122.9930	0.000	1	120.6798	8.915	6	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	124.3480	6.583	3	124.3480	43.334	3	120.1998	24.914	36	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	118.8097	6.896	3	118.8097	47.551	3	120.1998	24.914	36	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	115.2060	0.000	1	115.2060	0.000	1	120.1998	24.914	36	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	116.5840	0.000	1	116.5840	0.000	1	120.1998	24.914	36	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(NN[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN[5])	115.7860	0.000	1	115.7860	0.000	1	120.1998	24.914	36	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC)	121.4827	0.386	6	121.4827	0.149	6	120.1998	24.914	36	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5a])	117.9210	0.877	2	117.9210	0.769	2	120.1998	24.914	36	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6])	121.6450	0.000	1	121.6450	0.000	1	120.1998	24.914	36	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	118.2570	1.123	3	118.2570	1.262	3	120.1998	24.914	36	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a]N)2(NOO)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NN){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NOO){1|Cl<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	116.9520	0.000	1	116.9520	0.000	1	120.1998	24.914	36	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NC[6a])	121.4382	4.910	8	121.4382	24.107	8	120.1998	24.914	36	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]N)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NN)	122.6695	14.342	2	122.6695	205.700	2	120.1998	24.914	36	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)2(NN)	C[6a](C[6a]C[6a]N)2(NOO)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]N)2(NN){1|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NN)	121.4685	9.571	2	121.4685	91.598	2	120.1998	24.914	36	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]N)2(NOO)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NN){2|C<3>,3|N<2>}	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NN)	116.1285	0.395	2	116.1285	0.156	2	120.1998	24.914	36	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N[6])2(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N[6])2(NN){1|C<3>,2|F<1>,4|C<4>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(NC[6a])	118.7015	4.832	4	118.6434	18.785	8	118.6434	18.785	8	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N[6])2(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N[6])2(NN){1|C<3>,2|F<1>,4|C<4>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,1|I<1>,1|N<3>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(NC[6a])	118.5853	4.525	4	118.6434	18.785	8	118.6434	18.785	8	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	N(C[6a]C[6a]2)(NC[5a])	126.6980	0.000	1	126.6980	0.000	1	126.3063	0.167	3	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	N(C[6a]C[6a]2)(NC[6a])	126.1105	0.322	2	126.1105	0.104	2	126.3063	0.167	3	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(NN)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(NN){1|C<3>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(NHH){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	125.2800	0.735	2	125.2800	0.541	2	125.2800	0.541	2	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NN)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NN){2|C<3>,3|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NN)	125.2210	1.437	2	125.2210	2.065	2	125.2210	2.065	2	118.9468	7.369	362	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:O-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NNiO)	N(C[6a]C[6a,6a]C[6a])(ONi2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NO){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NNiO){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(ONi2)	126.5050	0.017	2	126.5050	0.000	2	126.5050	0.000	2	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCO)	N(C[6a]C[6a,6a]C[6a])(NC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]O)	126.1180	0.000	1	126.1180	0.000	1	126.1180	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OLi2)	N(C[6a]C[6a,6a]C[6a])(NC[6a]Li)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OLi2){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]Li)	125.7390	0.000	1	125.7390	0.000	1	125.7390	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|I<1>,1|S<4>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(COO)	119.4640	0.000	1	119.4640	0.000	1	119.4640	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)2	119.4940	0.000	1	119.4940	0.000	1	119.4940	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[5])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[5]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	118.0435	0.484	2	118.0435	0.235	2	118.0435	0.235	2	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCN)	125.7004	1.029	5	125.7004	1.059	5	124.3085	12.472	6	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	117.3490	0.000	1	117.3490	0.000	1	124.3085	12.472	6	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[6]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)	118.7720	0.000	1	118.7720	0.000	1	118.7720	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]C)	126.9610	0.000	1	126.9610	0.000	1	126.4585	0.505	2	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C)	125.9560	0.000	1	125.9560	0.000	1	126.4585	0.505	2	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	N(C[6a]C[6a]2)(CCO)	120.6900	0.000	1	120.6900	0.000	1	119.0309	5.779	16	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CCC)	118.6180	1.756	4	118.6180	3.085	4	119.0309	5.779	16	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|O<2>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CCO)	122.2310	0.000	1	122.2310	0.000	1	119.0309	5.779	16	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CC[5a]H)	119.0530	0.000	1	119.0530	0.000	1	119.0309	5.779	16	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	117.3307	0.754	6	117.2954	0.483	7	119.0309	5.779	16	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|O<2>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	117.0840	0.000	1	117.2954	0.483	7	119.0309	5.779	16	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)	123.4900	0.000	2	123.4900	0.000	2	119.0309	5.779	16	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NHH){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	116.4740	0.205	2	116.4740	0.042	2	116.4740	0.042	2	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[5]C[3,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]C[3,5]N[5])(C[6a]C[6a]2)	119.8630	0.000	1	119.8630	0.000	1	122.2675	10.429	4	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	121.1190	0.874	2	121.1190	0.764	2	122.2675	10.429	4	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	126.9690	0.000	1	126.9690	0.000	1	122.2675	10.429	4	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|I<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)	121.9720	0.000	1	121.9720	0.000	1	122.2846	17.356	5	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	126.2200	0.000	1	126.2200	0.000	1	122.2846	17.356	5	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	126.7840	0.000	1	126.7840	0.000	1	122.2846	17.356	5	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	118.2235	0.781	2	118.2235	0.611	2	122.2846	17.356	5	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	125.3670	0.351	2	125.3670	0.123	2	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	124.7590	0.471	3	124.7590	0.222	3	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CSS)	118.6690	0.000	1	118.6690	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	128.4200	0.000	1	128.4200	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)	118.5070	1.885	2	118.5070	3.554	2	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	121.5375	0.535	6	121.5375	0.286	6	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)	119.1610	0.000	1	119.1610	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	115.6208	0.207	4	115.6208	0.043	4	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)	119.1620	0.000	1	119.1620	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[3]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3]N)	123.4605	2.205	2	123.4605	4.864	2	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	120.5170	0.000	1	120.5170	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	123.4615	0.309	2	123.0790	0.487	3	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	122.3140	0.000	1	123.0790	0.487	3	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	125.6340	0.000	1	125.6340	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.2650	0.000	1	119.2650	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	122.9560	0.195	2	122.9560	0.038	2	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	127.7880	0.000	1	127.7880	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	118.5090	0.000	1	118.5090	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	120.0440	0.000	1	120.0440	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.9960	0.284	2	117.9960	0.081	2	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)	118.3560	0.000	1	118.3560	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CPdN)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CPdN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.6330	0.000	1	119.6330	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CPdN)	N(C[6a]C[6a]2)(CPdN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CPdN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPdN)	122.0220	1.881	2	122.0220	3.538	2	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]O)	121.5660	0.000	1	121.5660	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	118.4840	0.000	1	118.4840	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	122.0570	0.000	1	122.0570	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	120.7190	0.000	1	120.7190	0.000	1	121.2233	10.190	44	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)	128.9030	0.000	1	128.9030	0.000	1	124.2583	16.183	3	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)	121.8760	0.000	1	121.8760	0.000	1	124.2583	16.183	3	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)	121.9960	0.000	1	121.9960	0.000	1	124.2583	16.183	3	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	123.8870	0.000	1	123.8870	0.000	1	120.2396	4.775	5	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2	120.5220	0.000	1	120.5220	0.000	1	120.2396	4.775	5	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSiC)	N(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSiC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)	118.7880	0.670	2	118.7880	0.449	2	120.2396	4.775	5	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)2	119.2130	0.000	1	119.2130	0.000	1	120.2396	4.775	5	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)	118.9490	0.000	1	118.9490	0.000	1	118.9490	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	118.5150	0.000	1	118.5150	0.000	2	118.5150	0.000	2	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	118.5150	0.000	1	118.5150	0.000	2	118.5150	0.000	2	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	N(C[6a]C[6a]2)(CPd2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|Pd<4>,1|H<1>,3|C<3>,3|C<4>}	N(C[6a]C[6a]2)(CPd2)	119.0690	0.000	1	119.0690	0.000	1	119.0690	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NC[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,2|H<1>,4|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	120.7140	0.000	1	120.7140	0.000	1	120.7140	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CN[5a]C)	125.5270	0.000	1	125.5270	0.000	1	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[5a]H)	121.6593	0.589	3	121.6593	0.347	3	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	116.4490	0.000	1	116.4490	0.000	1	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]N)	123.3210	0.000	1	123.3210	0.000	1	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)	122.7560	0.000	2	122.7560	0.000	2	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CCC)	120.1910	0.000	1	120.1910	0.000	1	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCH)	118.9280	0.000	1	118.9280	0.000	1	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCN)	127.1297	0.637	3	127.1297	0.405	3	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|F<1>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)	116.7320	0.000	1	116.7320	0.000	1	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.9850	1.710	2	117.9850	2.923	2	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CB[5]H)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CB[5]H)	119.2470	1.540	2	119.2470	2.372	2	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CCH)	119.5630	4.320	4	119.5630	18.661	4	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	119.7740	1.942	6	119.7740	3.772	6	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CHH)	119.2310	0.000	1	119.2310	0.000	1	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCoC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC){1|Co<8>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,3|C<3>,3|C<4>}	N(C[6a]C[6a]2)(CCoC)	116.6650	0.000	1	116.6650	0.000	1	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CFe2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC){1|Fe<8>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,3|C<3>,3|C<4>}	N(C[6a]C[6a]2)(CFe2)	118.5490	0.000	1	118.5490	0.000	1	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CPd2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CPd2)	118.6670	0.000	1	118.6670	0.000	1	120.5468	10.968	32	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)	122.7390	0.486	2	121.9163	2.149	3	121.9163	2.149	3	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)	120.2710	0.000	1	121.9163	2.149	3	121.9163	2.149	3	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)2	117.3950	0.000	1	117.3950	0.000	1	117.3950	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	Si[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(NSi[5a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(Si[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(NSi[5a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(Si[5a]N[5a]2)(C[6a]C[6a]2)	120.7655	0.127	2	120.7655	0.016	2	120.7655	0.016	2	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	125.9243	0.235	3	125.9243	0.055	3	125.9243	0.055	3	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CNN)	115.8160	0.000	1	115.8160	0.000	1	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	117.4840	0.000	1	117.4840	0.000	1	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CNN)	115.1590	0.000	1	115.1590	0.000	1	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	124.3086	0.763	14	124.3086	0.582	14	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	121.8188	4.125	10	121.2447	15.734	12	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	118.3740	0.436	2	121.2447	15.734	12	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	116.3587	0.862	6	116.3587	0.743	6	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	116.3601	1.003	7	116.3601	1.006	7	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	115.8150	0.000	1	115.8150	0.000	1	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	124.2820	0.000	1	123.4859	7.048	14	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	123.4247	2.753	13	123.4859	7.048	14	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.4140	0.000	1	116.9692	1.085	17	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.8789	1.005	16	116.9692	1.085	17	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	121.6790	2.506	2	121.6790	6.280	2	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)	117.8750	0.000	1	117.8750	0.000	1	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	N(C[6a]C[6a]2)(CC[5a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]N[6])	125.3988	0.682	54	125.3988	0.466	54	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.5440	0.563	2	116.8555	0.245	4	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.1670	0.173	2	116.8555	0.245	4	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	124.3403	0.294	3	124.3403	0.086	3	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHO)	117.1420	0.000	1	117.1420	0.000	1	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)	117.1350	0.000	1	117.1350	0.000	1	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	115.9860	0.000	1	115.0855	1.622	2	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	114.1850	0.000	1	115.0855	1.622	2	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	116.7130	0.000	1	116.7333	0.648	3	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	115.9390	0.000	1	116.7333	0.648	3	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	117.5480	0.000	1	116.7333	0.648	3	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	116.4653	0.365	3	116.4653	0.133	3	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.2240	0.000	1	117.8070	0.680	2	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	118.3900	0.000	1	117.8070	0.680	2	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.5980	0.000	1	116.3825	0.896	14	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.0980	0.000	1	116.3825	0.896	14	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.0065	1.365	2	116.3825	0.896	14	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.4821	1.039	8	116.3825	0.896	14	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	115.8945	0.916	2	116.3825	0.896	14	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.9715	0.254	2	119.9715	0.064	2	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NMoC)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NMoC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	117.7430	0.000	1	117.7430	0.000	1	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	121.8400	0.000	1	121.8400	0.000	1	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	119.6723	0.390	4	119.6723	0.152	4	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.3310	1.026	3	116.3310	1.052	3	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.1935	0.015	2	116.1935	0.000	2	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]N)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CNN)	123.9610	6.218	2	123.9610	38.667	2	121.1130	17.556	179	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]S)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]S){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)	120.5810	0.000	1	120.5810	0.000	1	120.5810	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2	120.4100	0.000	1	120.4100	0.000	1	118.9252	17.639	31	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)2	115.8160	0.000	1	115.8160	0.000	1	118.9252	17.639	31	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)2	115.4987	1.038	12	115.4987	1.077	12	118.9252	17.639	31	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)2	115.8150	0.000	1	115.8150	0.000	1	118.9252	17.639	31	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2	122.8830	0.000	1	122.8830	0.000	1	118.9252	17.639	31	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)2	121.7182	3.984	15	121.7182	15.872	15	118.9252	17.639	31	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]Co)	N(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]Co){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Co)	127.0430	0.000	1	127.0430	0.000	1	127.7868	3.138	6	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NFeC)	N(C[6a]C[6a]2)(NC[6a]Fe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NFeC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Fe)	130.3550	0.000	1	130.3550	0.000	1	127.7868	3.138	6	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NPdH)	N(C[6a]C[6a]2)(NC[6a]Pd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NPdH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Pd)	126.0720	0.000	1	126.0720	0.000	1	127.7868	3.138	6	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NRhH)	N(C[6a]C[6a]2)(NC[6a]Rh)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NRhH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Rh)	128.7080	0.307	2	128.7080	0.094	2	127.7868	3.138	6	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NRuS)	N(C[6a]C[6a]2)(NC[6a]Ru)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NRuS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Ru)	125.8350	0.000	1	125.8350	0.000	1	127.7868	3.138	6	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	N(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)	118.9350	0.000	1	118.9350	0.000	1	118.9350	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[3]C[3]2)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(NC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[3]C[3]2){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCS)	125.9650	0.000	1	125.9650	0.000	1	125.9650	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCS)	122.1540	0.472	2	122.3067	0.181	3	122.2455	0.120	6	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCS)	122.6120	0.000	1	122.3067	0.181	3	122.2455	0.120	6	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	121.8560	0.000	1	122.1843	0.107	3	122.2455	0.120	6	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	122.1880	0.000	1	122.1843	0.107	3	122.2455	0.120	6	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	122.5090	0.000	1	122.1843	0.107	3	122.2455	0.120	6	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]){1|Ir<8>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)2	119.3520	0.000	1	119.3520	0.000	1	119.3520	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	123.1110	0.000	1	123.1110	0.000	1	123.1110	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(CC[6a]C[6])	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[6])	129.6670	0.000	1	129.6670	0.000	1	129.6670	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]C)	120.7160	0.000	1	120.7160	0.000	1	118.1060	3.472	5	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.4535	1.338	4	117.4535	1.791	4	118.1060	3.472	5	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2	119.8530	0.000	1	119.8530	0.000	1	119.8530	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]O)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.3600	0.000	1	117.3600	0.000	1	117.3600	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	N(C[6a]C[6a]2)(CC[6]H)	115.5285	0.190	2	115.5285	0.036	2	114.7918	0.389	6	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	N(C[6a]C[6a]2)(CC[6a]H)	114.4235	0.307	4	114.4235	0.094	4	114.7918	0.389	6	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	122.3890	0.000	1	122.3890	0.000	1	123.0890	1.154	3	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	123.4390	1.254	2	123.4390	1.574	2	123.0890	1.154	3	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CCH)	123.4480	0.000	1	123.4480	0.000	1	123.4480	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	109.6080	0.000	1	109.7640	0.049	2	109.7640	0.049	2	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	109.9200	0.000	1	109.7640	0.049	2	109.7640	0.049	2	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[6a]-3:N-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NC[6a])	C[6a](C[5]C[5]N[5])(C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NC[6a]){1|C<4>,2|N<3>,2|O<1>}	C[6a](C[5]C[5]N[5])(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,3|C<4>,4|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	131.6110	0.000	1	131.6110	0.000	1	131.6110	0.000	1	120.9306	16.729	390	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NP){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|O<2>,7|C<3>}	N(C[6a]C[6a]2)(PNOO)	121.6390	0.000	1	121.6390	0.000	1	120.5863	3.457	9	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PN3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(PN3)	119.3345	1.214	4	119.3345	1.474	4	120.5863	3.457	9	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|O<2>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(PNOO)	121.5750	1.996	4	121.5750	3.983	4	120.5863	3.457	9	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)	120.0380	0.000	1	120.0380	0.000	1	121.5812	1.068	4	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[5a]HH)	122.0957	0.117	3	122.0957	0.014	3	121.5812	1.068	4	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)	121.9520	0.000	1	121.9520	0.000	1	121.5765	0.282	2	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)	121.2010	0.000	1	121.2010	0.000	1	121.5765	0.282	2	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)	118.6290	0.000	1	118.6290	0.000	1	118.2115	0.349	2	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)	117.7940	0.000	1	117.7940	0.000	1	118.2115	0.349	2	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	119.3500	0.092	2	119.3500	0.008	2	118.3047	1.632	4	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	117.7680	0.000	1	117.7680	0.000	1	118.3047	1.632	4	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)	116.7510	0.000	1	116.7510	0.000	1	118.3047	1.632	4	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CH3)	120.6180	0.000	1	120.6180	0.000	1	120.6180	0.000	1	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NP){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(PNOO)	117.9680	0.000	1	117.9680	0.000	1	117.9680	0.000	1	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	120.3250	0.000	1	120.3250	0.000	1	120.3250	0.000	1	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCCH)	118.0555	3.122	2	118.0555	9.746	2	118.7627	5.261	11	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)	118.6585	0.192	2	117.5690	3.579	3	118.7627	5.261	11	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)	115.3900	0.000	1	117.5690	3.579	3	118.7627	5.261	11	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)	117.6477	0.969	3	117.6477	0.938	3	118.7627	5.261	11	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)	120.5660	0.000	1	120.5660	0.000	1	118.7627	5.261	11	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)	122.3490	0.000	1	122.3490	0.000	1	118.7627	5.261	11	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)	121.7140	0.000	1	121.7140	0.000	1	118.7627	5.261	11	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)	115.8010	0.000	1	115.8010	0.000	1	115.8010	0.000	1	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	121.3150	0.000	1	121.3150	0.000	1	119.4630	3.585	4	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	117.8345	0.220	2	117.8345	0.048	2	119.4630	3.585	4	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(SCCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCCO)	120.8680	0.000	1	120.8680	0.000	1	119.4630	3.585	4	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	N(C[6a]C[6a]2)(PC[5]CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[5]CC)	118.0270	0.051	2	118.0270	0.003	2	118.0270	0.003	2	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NP)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NP){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)	118.5440	0.000	1	118.5440	0.000	1	118.5440	0.000	1	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NS)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NS){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(SCOO)	117.0690	0.000	1	117.0690	0.000	1	117.0690	0.000	1	119.4322	4.192	44	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	Si[5,5,6]-4:C[6a]-3:	C[6a](C[6a]C[6a]2)2(NSi[5,5,6])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(Si[5,5,6]N[5,5]N[5,6]S[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(NSi[5,5,6]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(Si[5,5,6]N[5,5]N[5,6]S[5,6])(C[6a]C[6a]2)	121.9345	2.569	2	121.9345	6.599	2	121.9345	6.599	2	122.8497	5.312	6	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]2)2(NSi[5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(Si[5]N[5]2S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(NSi[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(Si[5]N[5]2S)(C[6a]C[6a]2)	121.5270	1.691	2	121.5270	2.861	2	121.5270	2.861	2	122.8497	5.312	6	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)	124.1100	0.000	1	124.1100	0.000	1	124.1100	0.000	1	122.8497	5.312	6	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	P[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP[4]Ni)	N(P[4]N[4]2Ni)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP[4]Ni){1|C<3>,2|H<1>}	N(P[4]N[4]2Ni)(C[6a]C[6a]2)	126.0650	0.000	1	126.0650	0.000	1	126.0650	0.000	1	122.8497	5.312	6	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	5:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[3]-5:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NZnC)	N(C[3]C[6a]C[3]H[3]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NZnC){1|C<3>,2|H<1>}	N(C[3]C[6a]C[3]H[3]C)(C[6a]C[6a]2)	123.7190	0.000	1	123.7190	0.000	1	123.7190	0.000	1	123.7190	0.000	1	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	Nb[6,6]-6:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NNb[6,6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(Nb[6,6]N[6]2O[6]2N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NNb[6,6]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(Nb[6,6]N[6]2O[6]2N)(C[6a]C[6a]2)	123.5760	0.000	1	123.5760	0.000	1	123.5760	0.000	1	123.5760	0.000	1	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-2:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(CB[3x3,3x5,12x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(CB[3x3,3x5,12x6])(C[6a]C[6a]2)	117.7320	0.840	2	117.7320	0.706	2	117.7320	0.706	2	117.2690	0.996	3	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	N-2:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(NB[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(NB[5x3,5x5,20x6])(C[6a]C[6a]2)	116.3430	0.000	1	116.3430	0.000	1	116.3430	0.000	1	117.2690	0.996	3	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C)	118.3107	0.425	8	118.3107	0.180	8	118.3107	0.180	8	119.3498	1.770	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)	120.8220	0.000	1	120.8220	0.000	1	120.2760	0.499	5	119.3498	1.770	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)	120.2415	1.036	2	120.1395	0.541	4	120.2760	0.499	5	119.3498	1.770	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(H)	120.0375	0.712	2	120.1395	0.541	4	120.2760	0.499	5	119.3498	1.770	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-1:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(P)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(P)	119.0817	1.163	4	119.0817	1.351	4	119.0817	1.351	4	119.3498	1.770	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)	121.5920	0.000	1	121.7265	0.036	2	121.7265	0.036	2	119.3498	1.770	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)	121.8610	0.000	1	121.7265	0.036	2	121.7265	0.036	2	119.3498	1.770	19	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-2:	C[6a](C[6a]C[6a]C)2(NB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(BN[6])	C[6a](C[6a]C[6a]C)2(NB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(BN[6])	120.2660	1.530	2	120.2660	2.341	2	120.2660	2.341	2	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CIr)	118.2350	0.000	1	118.2350	0.000	1	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CMo)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CMo)	119.2780	0.000	1	119.2780	0.000	1	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CN)	116.7603	0.297	3	116.7603	0.088	3	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CV)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)(CV)	118.2185	0.028	2	118.2185	0.001	2	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCr)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCr)	117.9508	0.309	6	117.9508	0.096	6	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CIr)	117.9590	1.032	6	117.9590	1.065	6	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN)	118.7143	2.590	10	118.7143	6.708	10	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPd)	117.6213	0.518	4	117.6213	0.269	4	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPt)	117.6128	0.292	4	117.6128	0.085	4	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CRe)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRe)	117.6230	0.534	6	117.6230	0.286	6	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CRh)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CRh)	117.7265	0.610	2	118.1145	0.332	4	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CRh)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRh)	118.5025	0.151	2	118.1145	0.332	4	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRu)	118.3175	0.339	2	118.3175	0.115	2	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CSi[5])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CSi[5])	118.5380	2.564	2	118.5380	6.574	2	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CW)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CW)	118.3933	0.454	6	118.5422	0.139	12	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CW)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CW)	118.6910	0.214	6	118.5422	0.139	12	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN)	119.4742	3.645	4	119.4742	13.285	4	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CN)	119.3882	2.705	4	119.3882	7.316	4	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CAl)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CAl)	117.8163	0.210	6	117.8163	0.044	6	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CB)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CB)	117.8135	0.689	4	117.8135	0.475	4	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC)	118.8385	3.216	4	118.8385	10.340	4	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6])	118.8060	0.000	1	118.8060	0.000	1	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a,6a])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a,6a])	119.5535	5.824	2	119.5535	33.924	2	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCo)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCo)	118.1510	0.722	11	118.1510	0.521	11	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCr)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCr)	118.4457	0.714	10	118.4457	0.510	10	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCu)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCu)	118.1815	0.453	19	118.1815	0.205	19	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CFe)	118.3303	0.741	44	118.3526	0.516	48	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CFe)	118.5973	0.345	4	118.3526	0.516	48	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CGa)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CGa)	117.9275	0.161	2	117.9275	0.026	2	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CGe)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CGe)	118.5680	0.261	4	118.5680	0.068	4	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CIr)	118.1024	0.775	42	118.1835	1.187	56	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CIr)	118.4270	1.744	14	118.1835	1.187	56	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CMn)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CMn)	118.4155	0.670	2	118.4155	0.448	2	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CMo)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CMo)	118.3634	1.065	22	118.3634	1.134	22	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN)	119.7316	4.039	28	119.6964	15.264	32	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CN)	119.4497	3.283	4	119.6964	15.264	32	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNb[10x3])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNb[10x3])	120.4460	1.448	2	120.4460	2.097	2	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNb[6])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNb[6])	118.5994	0.707	8	118.5994	0.500	8	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNi)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNi)	118.2354	0.818	16	118.2354	0.669	16	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CP)	118.9588	1.643	4	118.9588	2.701	4	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPd)	117.8836	0.841	180	117.8688	0.764	192	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CPd)	117.6467	1.303	12	117.8688	0.764	192	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPt)	117.9914	0.878	52	117.9914	0.771	52	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CRe)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRe)	118.3360	1.334	40	118.3360	1.779	40	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CRh)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRh)	118.0332	0.709	53	118.0330	0.526	55	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CRh)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CRh)	118.0255	1.490	2	118.0330	0.526	55	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRu)	118.3805	0.859	64	118.4091	0.657	74	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CRu)	118.5918	0.347	10	118.4091	0.657	74	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CTa)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CTa)	118.5663	0.502	12	118.5663	0.252	12	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CV)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CV)	118.5710	0.556	21	118.5710	0.309	21	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CW)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CW)	119.3205	2.572	4	119.3205	6.617	4	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CZr)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CZr)	118.0607	0.271	4	118.0607	0.073	4	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CPd)	120.2150	0.000	1	120.2150	0.000	1	118.2449	1.744	779	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC)	117.0090	1.525	2	117.0090	2.324	2	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	122.1280	4.566	2	117.2920	38.175	4	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	112.4560	0.352	2	117.2920	38.175	4	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	116.2010	0.000	1	116.2010	0.000	1	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)	115.7820	0.000	1	115.7820	0.000	1	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	116.6140	0.406	2	116.6140	0.165	2	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])	117.3580	0.000	1	117.3580	0.000	1	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(NC[6a])	116.8070	0.000	1	115.9230	0.842	3	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	114.9750	0.000	1	115.9230	0.842	3	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.9870	0.000	1	115.9230	0.842	3	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	116.7482	0.379	4	116.7482	0.144	4	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.8365	0.629	2	115.8365	0.395	2	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[5])	119.5560	6.344	2	119.7363	22.618	6	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(NC[5])	119.8265	4.924	4	119.7363	22.618	6	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NC[6a])	119.4648	9.077	4	119.4648	82.386	4	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(NC[6a])	118.3870	5.248	2	118.6425	14.694	4	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	118.8980	4.035	2	118.6425	14.694	4	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NN)	119.2821	2.089	24	119.2821	4.364	24	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF){1|C<3>,1|C<4>,1|I<1>}	N(C[6a]C[6a]2)(NN)	120.6500	1.283	4	120.6500	1.645	4	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	118.8670	1.393	2	119.1403	7.338	4	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	119.4135	4.447	2	119.1403	7.338	4	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NC[6a])	119.9505	9.286	2	119.9505	86.238	2	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,1|C<4>,1|I<1>}	N(C[6a]C[6a]2)(NN)	120.9328	4.915	6	120.9328	24.155	6	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC)	119.4180	4.916	2	119.6010	35.192	6	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NC)	119.6925	7.111	4	119.6010	35.192	6	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(NC[5])	121.0445	9.006	4	121.0445	81.103	4	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[5a])	119.4265	10.624	2	119.6677	62.095	6	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NC[5a])	119.7883	8.112	4	119.6677	62.095	6	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	119.5855	5.626	2	119.4860	15.924	6	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NC[6a])	119.4363	3.997	4	119.4860	15.924	6	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NN)	119.3770	3.063	2	119.0210	13.979	9	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NN)	119.5828	4.090	6	119.0210	13.979	9	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NN)	114.9380	0.000	1	119.0210	13.979	9	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NN[5])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NN[5])	119.1410	3.390	2	119.1410	11.491	2	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NRu)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NRu)	117.9250	3.975	2	117.9250	15.803	2	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NN)	118.9387	4.815	6	118.9387	23.181	6	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSi2H)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSi2H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NN)	118.2850	2.503	2	118.2850	6.266	2	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|Ga<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.4150	0.000	1	115.4150	0.000	1	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Ga<3>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(NC[6a])	115.9010	0.000	1	115.9010	0.000	1	118.9413	18.132	119	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-2:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(PC[5])	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PC[5])	120.0725	1.736	2	120.0725	3.014	2	119.6691	1.059	10	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-2:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(PO)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PO)	119.4090	1.655	2	119.4090	2.738	2	119.6691	1.059	10	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-2:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(PS)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PS)	119.6280	1.245	2	119.6280	1.549	2	119.6691	1.059	10	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-2:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[5])	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[5])	119.9280	0.239	2	119.9280	0.057	2	119.6691	1.059	10	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-2:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PN)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PN)	119.3080	1.147	2	119.3080	1.315	2	119.6691	1.059	10	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.9585	2.638	2	115.9585	6.960	2	115.6921	1.774	7	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2S)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2S){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.6255	0.217	2	115.6255	0.047	2	115.6921	1.774	7	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Se)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Se){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.8670	0.750	2	114.8670	0.562	2	115.6921	1.774	7	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2W)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2W){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	116.9430	0.000	1	116.9430	0.000	1	115.6921	1.774	7	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]OO)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]OO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.9080	0.697	2	117.9080	0.486	2	117.9080	0.486	2	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC3)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.1030	0.227	4	115.1030	0.052	4	116.7585	9.679	20	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiCCF)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiCCF){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.4445	1.528	2	115.4445	2.335	2	116.7585	9.679	20	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiCFF)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiCFF){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	121.0220	0.000	1	121.0220	0.000	1	116.7585	9.679	20	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]2C)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]2C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	113.8995	0.323	2	113.8995	0.104	2	116.7585	9.679	20	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]2F)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]2F){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	118.4280	3.239	3	118.1182	17.903	5	116.7585	9.679	20	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]2F)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]2F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.6535	7.065	2	118.1182	17.903	5	116.7585	9.679	20	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]2H)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]2H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	113.9430	0.000	1	113.9430	0.000	1	116.7585	9.679	20	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]CC)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.9225	0.216	2	114.9225	0.047	2	116.7585	9.679	20	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]FF)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]FF){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	120.9420	0.000	1	120.9420	0.000	1	116.7585	9.679	20	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiF3)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiF3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.8180	0.000	1	119.8635	0.004	2	116.7585	9.679	20	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiF3)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.9090	0.000	1	119.8635	0.004	2	116.7585	9.679	20	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:N-4:	C[6a]-3:N-2:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NH3)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NH3){1|N<3>,2|O<1>}	N(C[6a]C[6a]2)(NC[6a])	116.7750	0.235	2	116.7750	0.055	2	116.7750	0.055	2	118.2980	4.129	941	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NC)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]N)(CH3)	N(C[6a]C[5,6a]C[6a])(CC[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NC){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]N)(CH3){1|C<4>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(CC[6a]N)	121.4930	0.000	1	121.4930	0.000	1	121.4930	0.000	1	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NC[6a])	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(CH3)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	121.7940	0.000	1	121.7940	0.000	1	121.7940	0.000	1	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	116.9210	0.000	1	116.9210	0.000	1	119.6695	5.621	4	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]CH)	N(C[6a]C[6a,6a]C[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCC)	118.9000	0.000	1	118.9000	0.000	1	119.6695	5.621	4	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3)	N(C[6a]C[6a,6a]C[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCC)	120.3040	0.000	1	120.3040	0.000	1	119.6695	5.621	4	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3)	N(C[6a]C[6a,6a]C[6a])(CC[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[5]H)	122.5530	0.000	1	122.5530	0.000	1	119.6695	5.621	4	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	117.5440	0.000	1	117.5440	0.000	1	117.5440	0.000	1	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	B[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NB[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(B[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NB[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(B[5]C[5,6a]N[5])(C[6a]C[6a]2)	119.4370	1.065	2	119.4370	1.134	2	120.2147	2.503	4	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	B[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NB[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(B[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NB[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(B[5]C[5]N[5])(C[6a]C[6a]2)	120.9925	1.989	2	120.9925	3.956	2	120.2147	2.503	4	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(CC[3x3,4,3x5,14x6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(CC[3x3,4,3x5,14x6]C)(C[6a]C[6a]2)	118.8095	1.583	16	118.8095	2.505	16	118.7686	2.092	22	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)	118.7435	0.832	2	118.7435	0.693	2	118.7686	2.092	22	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(CC[5x3,5x5,20x6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(CC[5x3,5x5,20x6]H)(C[6a]C[6a]2)	118.4600	1.734	2	118.4600	3.006	2	118.7686	2.092	22	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(CC[5x3,5x5,20x6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(CC[5x3,5x5,20x6]H)(C[6a]C[6a]2)	118.7750	1.561	2	118.7750	2.438	2	118.7686	2.092	22	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[3]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[3]Si[3,5]Si[3])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[3]Si[3,5]Si[3])(C[6a]C[6a]2)	119.8409	2.263	8	119.8409	5.120	8	119.8409	5.120	8	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[4]B[4]C[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[4]B[4]C[4])(C[6a]C[6a]2)	119.3570	1.002	8	119.3570	1.004	8	119.3243	0.827	16	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[4]B[4]C[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[4]B[4]C[4])(C[6a]C[6a]2)	119.2250	0.430	4	119.2250	0.185	4	119.3243	0.827	16	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[4]C[4]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[4]C[4]N[4])(C[6a]C[6a]2)	118.8000	0.393	2	118.8000	0.155	2	119.3243	0.827	16	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[4]Si[4,4,6,6]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[4]Si[4,4,6,6]N[4])(C[6a]C[6a]2)	119.9165	1.835	2	119.9165	3.367	2	119.3243	0.827	16	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5,5]P[4,5,5]N[5,5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5,5]P[4,5,5]N[5,5])(C[6a]C[6a]2)	119.6490	4.919	2	119.6490	24.193	2	119.6490	24.193	2	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	121.0935	1.899	2	121.0935	3.605	2	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	118.6805	0.333	2	118.6805	0.111	2	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	121.1442	0.596	4	121.1442	0.355	4	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[5]N[5]O[5])(C[6a]C[6a]2)	119.3235	0.558	2	119.3235	0.311	2	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)	118.9235	2.309	2	118.9235	5.330	2	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)	119.0362	1.040	4	119.0362	1.081	4	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	118.9797	1.195	18	118.9797	1.427	18	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[5]Si[5,5]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[5]Si[5,5]C[5,6])(C[6a]C[6a]2)	119.1620	1.882	2	119.1620	3.543	2	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	118.9785	0.540	2	118.9785	0.291	2	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)	119.2383	0.780	6	119.2383	0.609	6	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5,6]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|C<4>}	N(C[5]C[5,6]O[5])(C[6a]C[6a]2)	119.2740	1.580	4	119.2740	2.498	4	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	119.1225	0.066	2	119.3469	2.418	16	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	119.3943	1.616	12	119.3469	2.418	16	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<4>,2|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	119.2865	2.723	2	119.3469	2.418	16	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	118.9923	2.508	6	118.9923	6.292	6	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5]C[5]N[5])(C[6a]C[6a]2)	118.8930	0.199	2	118.8930	0.040	2	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]N[5]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5]N[5]P[5])(C[6a]C[6a]2)	119.7250	4.125	2	119.7250	17.018	2	119.2966	2.217	74	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	120.2790	0.000	1	120.2790	0.000	1	118.9173	2.442	62	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	118.7085	0.783	4	118.7085	0.613	4	118.9173	2.442	62	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	118.1685	1.554	14	118.1685	2.416	14	118.9173	2.442	62	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]N[5a]2)(C[6a]C[6a]2)	119.5830	0.697	2	119.5830	0.486	2	118.9173	2.442	62	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]B[5a,6,6]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]B[5a,6,6]N[5a])(C[6a]C[6a]2)	119.2555	0.231	2	119.2555	0.053	2	118.9173	2.442	62	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]B[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]B[5a]N[5a])(C[6a]C[6a]2)	119.7005	0.401	2	119.7005	0.161	2	118.9173	2.442	62	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]B[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]B[5a]S[5a])(C[6a]C[6a]2)	118.9160	3.325	2	118.9160	11.054	2	118.9173	2.442	62	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)	119.1873	0.715	4	119.1873	0.511	4	118.9173	2.442	62	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	119.0825	0.883	6	119.1886	0.755	20	118.9173	2.442	62	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	119.2341	0.892	14	119.1886	0.755	20	118.9173	2.442	62	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5a]C[5a]2)(C[6a]C[6a]2)	119.3735	1.097	2	119.3735	1.203	2	118.9173	2.442	62	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	119.5940	2.188	6	119.5940	4.786	6	118.9173	2.442	62	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	119.5190	2.319	2	119.5190	5.379	2	118.9173	2.442	62	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	112.6180	0.000	1	112.6180	0.000	1	118.9173	2.442	62	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)	118.6670	1.706	4	118.6670	2.911	4	118.9943	0.879	16	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|C<4>}	N(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)	118.9620	0.876	4	119.1034	0.353	12	118.9943	0.879	16	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)	118.9707	0.528	4	119.1034	0.353	12	118.9943	0.879	16	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)	119.3775	0.310	4	119.1034	0.353	12	118.9943	0.879	16	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	116.0670	0.000	1	116.0670	0.000	1	119.3167	4.403	13	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6]C[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)	119.1650	0.000	1	119.1650	0.000	1	119.3167	4.403	13	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	121.5980	0.000	1	121.5980	0.000	1	119.3167	4.403	13	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	119.3450	2.278	4	119.3450	5.189	4	119.3167	4.403	13	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	119.4360	3.070	2	119.4360	9.426	2	119.3167	4.403	13	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	119.5087	1.989	4	119.5087	3.958	4	119.3167	4.403	13	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:	C[6a](C[6a]C[6a]C)2(NB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(BNN)	C[6a](C[6a]C[6a]C)2(NB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BNN)	119.4415	0.886	2	119.4415	0.785	2	119.4415	0.785	2	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CH3){3|C<3>}	N(C[6a]C[6a]2)(CCO)	118.1270	0.000	1	118.1270	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(CCC)	119.6440	0.000	1	119.6440	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	119.4460	0.000	1	119.4460	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	118.6160	0.000	1	118.6160	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.9172	0.539	4	117.6987	0.311	6	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.2615	0.330	2	117.6987	0.311	6	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	118.4300	0.000	1	118.4300	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.9270	0.000	1	118.9270	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	121.1890	0.000	1	121.1890	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	120.2460	0.000	1	120.2460	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)	122.5380	0.000	1	122.5380	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[6])	123.7950	0.178	2	123.7950	0.032	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.6125	0.267	2	122.0357	1.034	3	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.8820	0.000	1	122.0357	1.034	3	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)	124.2110	0.000	1	124.2110	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	118.9590	0.917	3	118.9590	0.842	3	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCO)	N(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)	119.7030	0.000	1	119.7030	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	119.2020	0.000	1	119.2257	0.481	3	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCC)	119.2375	0.981	2	119.2257	0.481	3	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	118.0550	1.046	3	118.0550	1.093	3	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	117.7200	0.000	1	117.7200	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	118.9010	0.000	1	118.9010	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	116.8870	0.000	1	117.6909	2.864	8	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.8057	1.794	7	117.6909	2.864	8	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	119.9060	0.535	2	119.9060	0.286	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNP)	121.8525	0.040	2	121.8525	0.002	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CPdN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPdN)	117.8810	0.000	1	117.8810	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	119.4470	0.000	1	119.4470	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.5300	0.000	1	118.5300	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	124.5885	0.162	2	124.5885	0.026	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	121.0020	0.000	1	121.0020	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	119.3630	0.000	1	119.3630	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	116.6680	0.000	1	118.3164	1.285	7	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.5912	0.953	6	118.3164	1.285	7	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[5a]C)	122.2860	0.000	1	122.2860	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	117.4600	0.000	1	118.8575	0.954	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	119.5290	0.000	1	118.8575	0.954	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	119.5330	0.000	1	118.8575	0.954	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCC)	118.9080	0.000	1	118.8575	0.954	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCH)	118.7020	0.000	1	118.4795	0.099	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	118.2570	0.000	1	118.4795	0.099	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)	119.4590	0.000	1	120.5530	0.957	3	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)	121.1000	0.345	2	120.5530	0.957	3	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5a]H)	118.3040	0.000	1	118.3040	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)	118.2760	0.000	1	118.2760	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]S)	117.3740	0.638	2	117.3740	0.407	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	119.2185	1.685	2	119.2185	2.839	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.6024	0.497	7	117.6787	0.729	26	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.0171	1.344	7	117.6787	0.729	26	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6a]H)	118.3790	0.000	1	117.6787	0.729	26	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.2704	0.548	7	117.6787	0.729	26	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	118.1825	0.435	2	117.6787	0.729	26	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.3360	0.813	2	117.6787	0.729	26	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	119.7680	0.518	2	119.7680	0.268	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHN)	118.4930	0.448	4	118.4930	0.201	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)	120.6700	0.000	1	120.1643	0.677	3	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)	119.9115	0.985	2	120.1643	0.677	3	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[5]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]N)	118.2860	0.431	2	118.2860	0.186	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[5a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]N)	116.0615	0.250	2	116.0615	0.062	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)	122.4935	0.607	2	122.4935	0.369	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	118.2140	0.000	1	118.2140	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.4795	0.281	6	117.4795	0.079	6	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)	123.5490	0.000	1	123.5490	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.2990	0.151	2	117.2990	0.023	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	120.7295	0.507	2	120.7295	0.257	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH)	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	121.2500	0.205	2	121.2500	0.042	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	117.0260	1.769	2	117.0260	3.130	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	118.5450	0.000	1	118.5450	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.4820	0.048	2	117.4820	0.002	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)(CCC)	116.8750	0.000	1	116.8750	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[5a]H)	119.0985	0.059	2	119.0985	0.003	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCC)	119.2950	0.916	2	119.2344	1.480	97	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCC)	119.1302	1.247	4	119.2344	1.480	97	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	119.2396	1.250	88	119.2344	1.480	97	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|I<1>}	N(C[6a]C[6a]2)(CCC)	119.4725	0.286	2	119.2344	1.480	97	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCC)	118.5980	0.000	1	119.2344	1.480	97	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCH)	118.8460	0.638	2	119.0312	5.441	29	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCH)	119.0449	2.417	27	119.0312	5.441	29	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCN)	119.4199	1.178	32	119.4199	1.388	32	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)	119.1953	1.661	8	119.1953	2.760	8	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCP)	120.0023	1.700	4	120.0023	2.892	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[3x6]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[3x6]N)	119.6715	1.580	2	119.6715	2.498	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[5,5]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5,5]H)	119.0440	0.897	2	119.0440	0.804	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[5]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]C)	119.2307	0.961	6	119.2307	0.923	6	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]H)	119.0556	1.198	16	119.0556	1.434	16	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[5]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]N)	120.2610	4.898	4	120.2610	23.988	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)	119.1325	0.714	4	119.1325	0.510	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	119.0387	1.116	32	118.9865	1.303	34	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]H)	118.1515	1.702	2	118.9865	1.303	34	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]C)	118.8512	1.292	16	118.8512	1.668	16	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	118.8516	1.422	30	118.8653	1.905	32	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6]H)	119.0715	0.556	2	118.8653	1.905	32	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]S)	118.9460	0.721	4	118.9460	0.520	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	118.7933	1.558	4	118.7933	2.427	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	119.0974	1.456	46	119.0974	2.121	46	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	119.3021	2.639	10	119.3021	6.964	10	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[6])	118.8272	1.854	10	118.8272	3.438	10	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]Cl)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]Cl)	118.7043	0.311	4	118.7043	0.097	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.9995	1.463	103	118.9914	2.106	107	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]H)	118.4440	1.113	2	118.9914	2.106	107	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	119.1220	1.747	2	118.9914	2.106	107	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	119.5016	1.680	38	119.5016	2.824	38	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]N[5])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[5])	119.2381	2.462	16	119.2381	6.062	16	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]Pd)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]Pd)	119.3930	3.851	2	119.3930	14.829	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHN)	119.3019	1.900	16	119.3019	3.610	16	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)	119.6773	1.287	32	119.6773	1.656	32	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)	119.9052	0.761	4	119.9052	0.580	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNP)	119.7778	0.864	12	119.7778	0.747	12	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNS)	118.7175	0.649	4	118.7175	0.421	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	118.8473	1.633	10	118.8473	2.667	10	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5a]C)	119.3920	0.182	2	119.3920	0.033	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CN[6,6]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6,6]C)	119.8105	1.148	2	119.8105	1.317	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	119.9319	1.519	16	119.9319	2.308	16	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(COP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COP)	119.3300	1.558	4	119.3300	2.426	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)	116.9020	0.000	1	116.9020	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	119.1627	0.551	8	119.3715	0.613	12	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]C)	119.7890	1.092	4	119.3715	0.613	12	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	118.9785	0.903	2	118.9785	0.815	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCC)	119.4878	2.692	4	119.4878	7.249	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCH)	119.4515	3.384	2	119.4515	11.448	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCN)	119.7913	0.356	4	119.7913	0.126	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CC[6]S)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6]S)	119.6543	2.458	10	119.6543	6.041	10	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CB[5a]P)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CB[5a]P)	119.4450	0.913	4	119.4450	0.834	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCC)	118.6190	0.000	2	119.1715	1.620	37	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCC)	117.8670	0.000	1	119.1715	1.620	37	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)	119.2528	1.387	28	119.1715	1.620	37	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|S<4>}	N(C[6a]C[6a]2)(CCC)	119.0480	1.101	4	119.1715	1.620	37	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCC)	119.4840	0.000	2	119.1715	1.620	37	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCH)	119.5030	3.581	8	119.5030	12.827	8	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCN)	119.5651	1.605	8	119.4397	2.476	16	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCN)	119.3143	1.641	8	119.4397	2.476	16	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)	119.7690	2.472	2	119.7690	6.111	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCP)	119.2470	1.445	4	119.2470	2.088	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[4]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[4]C)	119.3950	1.724	2	119.3950	2.972	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5,6]Pd)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5,6]Pd)	119.4523	0.939	4	119.4523	0.881	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]H)	118.9170	4.670	2	118.9170	21.806	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5]Pd)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]Pd)	119.5270	2.329	2	119.5270	5.425	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)	119.1585	1.149	2	119.5684	0.600	8	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[5a]C)	119.7050	0.697	6	119.5684	0.600	8	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)	119.1847	0.978	10	119.3819	1.579	16	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[5a]H)	119.7105	1.676	6	119.3819	1.579	16	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5a]Pd)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]Pd)	118.8460	0.915	2	118.8460	0.837	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]C)	119.0070	1.604	4	119.0070	2.571	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	119.3173	2.043	4	119.5033	5.796	12	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6]H)	119.5964	2.700	8	119.5033	5.796	12	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]2)	119.8060	1.489	2	119.4815	7.324	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]2)	119.1570	4.397	2	119.4815	7.324	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	119.1766	1.595	28	119.3130	2.138	50	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]C)	119.4865	1.289	22	119.3130	2.138	50	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	119.2264	1.206	14	119.2264	1.454	14	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]H)	119.5885	2.122	4	119.3760	3.685	40	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.2473	2.053	18	119.3760	3.685	40	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]H)	119.4831	2.177	12	119.3760	3.685	40	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	119.4060	1.080	6	119.3760	3.685	40	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	119.5305	1.402	4	119.5305	1.965	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]N[5])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]N[5])	119.4052	0.981	4	119.4052	0.963	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]Pd)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]Pd)	119.2551	2.052	56	119.2551	4.212	56	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCo2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCo2)	119.0630	0.906	4	119.0630	0.821	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCr2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCr2)	118.1355	0.715	2	118.1355	0.511	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CFeN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CFeN)	119.5565	0.363	2	119.5565	0.132	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHN)	118.9808	0.439	4	118.9808	0.193	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CIrP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CIrP)	119.4235	5.253	4	119.4235	27.595	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)	119.6966	1.463	8	119.7111	1.432	12	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CNN)	119.7400	0.506	4	119.7111	1.432	12	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CNS)	119.5465	0.930	2	119.5465	0.865	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[5]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	118.8253	1.494	16	118.8253	2.233	16	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[5]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]N)	120.2065	2.266	2	120.2065	5.136	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[5]Pd)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]Pd)	119.2047	1.618	6	119.2047	2.617	6	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[5a]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CN[5a]C)	119.2190	1.406	2	119.2190	1.976	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[6]C)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CN[6]C)	118.6685	0.118	2	118.6685	0.014	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[6]N)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	119.2765	1.015	2	119.2765	1.030	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[6]Pd)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CN[6]Pd)	119.0267	0.874	4	119.0267	0.764	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNi2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNi2)	119.4810	0.000	1	119.4810	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CPd2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CPd2)	117.0425	4.116	2	117.0425	16.942	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CPdC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPdC)	119.1684	2.758	16	119.1684	7.605	16	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CPdN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPdN)	119.0495	1.014	14	119.0495	1.028	14	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CPtC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPtC)	118.9075	2.973	8	118.9075	8.837	8	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CRe2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRe2)	119.8135	2.287	2	119.8135	5.233	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CRuC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRuC)	119.6435	0.138	2	119.6435	0.019	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CSS)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CSS)	117.7960	1.366	2	117.7960	1.866	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CTiC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CTiC)	119.5720	2.772	2	119.5720	7.683	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCC)	120.0320	0.000	1	120.0320	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCC)	118.8260	0.000	2	118.8260	0.000	2	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]H)	118.5365	2.082	4	118.5365	4.333	4	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CClC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(NC){1|Ti<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CClC)	121.0690	0.000	1	121.0690	0.000	1	119.1929	2.782	1218	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]C)2(NC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(C[4]N[4]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[4]N[4]2)	119.3435	5.274	2	119.3435	27.818	2	119.1118	3.623	12	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]C)2(NC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(C[4]O[4]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[4]O[4]2)	118.9830	1.015	2	118.9830	1.031	2	119.1118	3.623	12	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]C)2(NC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(C[4]S[4]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[4]S[4]2)	118.8135	0.015	2	118.8135	0.000	2	119.1118	3.623	12	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]C)2(NC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[4]C[4]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[4]C[4]2)	118.9527	0.841	4	118.9527	0.707	4	119.1118	3.623	12	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]C)2(NC[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[4]Si[4]2)	C[6a](C[6a]C[6a]C)2(NC[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[4]Si[4]2)	119.6255	2.816	2	119.6255	7.932	2	119.1118	3.623	12	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)	119.3878	1.610	6	119.3878	2.591	6	119.3878	2.591	6	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2	117.6720	0.000	1	117.6720	0.000	1	119.1051	2.160	71	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2	118.5788	0.491	6	118.5788	0.241	6	119.1051	2.160	71	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	123.0900	0.000	1	123.0900	0.000	1	119.1051	2.160	71	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){3|C<3>}	N(C[6a]C[6a]2)2	119.0290	0.000	1	118.8994	18.565	5	119.1051	2.160	71	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)2	118.8670	4.975	4	118.8994	18.565	5	119.1051	2.160	71	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.9656	0.990	14	118.9656	0.979	14	119.1051	2.160	71	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2	119.2311	0.938	10	119.2311	0.880	10	119.1051	2.160	71	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2	119.2195	1.244	2	119.2195	1.547	2	119.1051	2.160	71	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	118.9550	0.755	4	118.9550	0.570	4	119.1051	2.160	71	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.9992	0.763	10	119.1702	0.804	22	119.1051	2.160	71	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.3127	1.005	12	119.1702	0.804	22	119.1051	2.160	71	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)	119.7300	0.475	2	119.7300	0.226	2	119.1051	2.160	71	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(NC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2	119.1097	2.119	4	119.1097	4.492	4	119.1051	2.160	71	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:In[6]-3:	C[6a](C[6a]C[6a]C)2(NIn[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(In[6]N[6]2)	C[6a](C[6a]C[6a]C)2(NIn[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(In[6]N[6]2)	122.4950	8.160	2	122.4950	66.586	2	122.4950	66.586	2	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(NC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]N)	119.2295	0.120	2	119.2295	0.014	2	118.3306	12.216	19	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(NC[6a]H)	116.8470	0.000	1	116.8470	0.000	1	118.3306	12.216	19	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6a]Ni)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|N<3>,1|O<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a]Ni)	113.5455	2.402	2	113.5455	5.770	2	118.3306	12.216	19	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(NC[6a]Pd)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a]Pd)	118.7355	1.796	4	118.7355	3.226	4	118.3306	12.216	19	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NNiN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NNiN)	119.6505	4.419	2	119.6505	19.525	2	118.3306	12.216	19	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NRhC)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NRhC)	118.8965	2.823	2	118.8965	7.972	2	118.3306	12.216	19	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NScN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NScN)	119.9243	5.996	4	119.9243	35.948	4	118.3306	12.216	19	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]C)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6a]Os)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]C)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Os<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]Os)	116.2450	0.000	1	116.2450	0.000	1	118.3306	12.216	19	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]C)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6a]Ru)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]C)(NN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Ru<6>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(NC[6a]Ru)	117.9070	0.000	1	117.9070	0.000	1	118.3306	12.216	19	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(PN[6]2)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PN[6]2)	120.7575	0.203	2	120.7575	0.041	2	120.7575	0.041	2	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-3:	C[6a](C[6a]C[6a]C)2(NSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC[5]N)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[5]N)	120.6933	1.209	4	120.6933	1.462	4	120.6933	1.462	4	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H)	N(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]O)	118.4040	0.000	1	118.4040	0.000	1	118.4040	0.000	1	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H)	N(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CCN)	119.2810	0.000	1	119.2810	0.000	1	120.3447	3.475	3	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H)	N(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	122.4970	0.000	1	122.4970	0.000	1	120.3447	3.475	3	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.2560	0.000	1	119.2560	0.000	1	120.3447	3.475	3	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NN){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)	113.7310	0.000	1	113.7310	0.000	1	113.7310	0.000	1	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:B-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Fe)	N(C[6a]C[6a]2)(BFeH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Fe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(BFeH)	124.2763	0.205	3	124.2763	0.042	3	124.2763	0.042	3	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O)	N(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	117.9210	0.000	1	117.9210	0.000	1	117.9210	0.000	1	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHN)	119.0100	0.000	1	119.0100	0.000	1	120.2260	1.161	3	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5]OO)	N(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5]OO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)	120.6050	0.000	1	120.6050	0.000	1	120.2260	1.161	3	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5]OO)	N(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5]OO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)	121.0630	0.000	1	121.0630	0.000	1	120.2260	1.161	3	119.1962	2.934	1572	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)	118.9170	0.000	1	118.9170	0.000	1	119.8483	1.423	18	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)	118.9470	0.000	1	118.9470	0.000	1	119.8483	1.423	18	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)	120.3334	0.451	8	120.3334	0.203	8	119.8483	1.423	18	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CNiCO)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNiCO)	119.5460	1.211	2	119.5460	1.465	2	119.8483	1.423	18	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CTiNO)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CTiNO)	119.6290	2.478	2	119.6290	6.139	2	119.8483	1.423	18	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CTiNS)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CTiNS)	119.6830	1.855	2	119.6830	3.443	2	119.8483	1.423	18	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CTiNO)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CTiNO)	119.5110	2.755	2	119.5110	7.589	2	119.8483	1.423	18	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-4:	C[6a](C[6a]C[6a]C)2(NNb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NbNNO)	C[6a](C[6a]C[6a]C)2(NNb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NbNNO)	119.7300	0.109	2	119.7300	0.012	2	119.7300	0.012	2	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)	116.6040	0.010	2	116.6040	0.000	2	120.4486	4.151	69	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(PC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC3)	122.6175	0.350	2	122.6175	0.123	2	120.4486	4.151	69	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(PCCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PCCN)	122.6715	0.634	2	122.6715	0.402	2	120.4486	4.151	69	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PO3)	117.9520	0.000	1	117.9520	0.000	1	120.4486	4.151	69	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[5]CC)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[5]CC)	120.3065	2.201	2	120.3065	4.845	2	120.4486	4.151	69	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[5a]CC)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[5a]CC)	120.3125	0.565	8	120.3125	0.319	8	120.4486	4.151	69	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)	120.1916	0.922	18	120.1916	0.850	18	120.4486	4.151	69	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)	120.0760	0.443	2	120.0760	0.196	2	120.4486	4.151	69	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PNOO)	119.7905	3.946	2	119.7905	15.574	2	120.4486	4.151	69	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PC[5a]CC)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PC[5a]CC)	120.8838	1.004	6	120.8838	1.008	6	120.4486	4.151	69	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PC[6a]2C)	121.0981	2.993	14	121.0981	8.957	14	120.4486	4.151	69	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PC[6a]2N)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2N)	120.5040	4.088	4	120.5040	16.708	4	120.4486	4.151	69	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PC[6a]3)	120.4762	1.260	4	120.4762	1.587	4	120.4486	4.151	69	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PO3)	119.1595	0.309	2	119.1595	0.095	2	120.4486	4.151	69	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)	118.6290	0.000	1	118.6290	0.000	1	119.6136	3.890	7	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HS)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	118.4950	3.879	2	118.4950	15.048	2	119.6136	3.890	7	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)	121.0030	0.000	1	121.0030	0.000	1	119.6136	3.890	7	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	120.8170	0.000	1	120.8170	0.000	1	119.6136	3.890	7	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)2(NS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)	119.9280	1.116	2	119.9280	1.245	2	119.6136	3.890	7	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP)	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SiC3)	120.7370	0.000	1	120.7370	0.000	1	120.8806	1.153	25	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC3)	120.4025	0.371	2	120.4025	0.138	2	120.8806	1.153	25	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC3)	121.6815	0.689	2	120.8385	1.209	4	120.8806	1.153	25	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC3)	119.9955	0.555	2	120.8385	1.209	4	120.8806	1.153	25	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC[5]ClC)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[5]ClC)	120.9552	0.705	10	120.9552	0.497	10	120.8806	1.153	25	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC[5]ClN)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[5]ClN)	120.9940	0.338	2	120.9940	0.114	2	120.8806	1.153	25	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC[5]OO)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[5]OO)	121.3235	3.010	2	121.3235	9.061	2	120.8806	1.153	25	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC[5]OP)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[5]OP)	121.4150	2.707	2	121.4150	7.327	2	120.8806	1.153	25	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiCCO)	120.0510	0.139	2	120.0510	0.019	2	120.8806	1.153	25	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)	125.6400	0.000	1	125.6400	0.000	1	125.6400	0.000	1	120.4314	3.318	122	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:5:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-5:	C[6a](C[6a]C[6a]C)2(NNb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NbNNOO)	C[6a](C[6a]C[6a]C)2(NNb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NbNNOO)	119.7475	1.712	2	119.7475	2.931	2	119.7475	2.931	2	119.7475	2.931	2	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	3:6:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-6:	C[6a](C[6a]C[6a]C)2(NNb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(NbCl2S3)	C[6a](C[6a]C[6a]C)2(NNb){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NbCl2S3)	117.7825	3.492	2	117.7825	12.197	2	117.7825	12.197	2	117.7825	12.197	2	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5,6]C[5]Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6]C[5]Fe)(C[6a]C[6a]2)	120.1490	1.205	2	120.1490	1.452	2	120.1490	1.452	2	120.5783	3.657	34	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NIn[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(In[6]N[6]2N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NIn[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(In[6]N[6]2N)(C[6a]C[6a]2)	120.4035	0.405	2	120.4035	0.164	2	120.4035	0.164	2	120.5783	3.657	34	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[6]N[6]2N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[6]N[6]2N)(C[6a]C[6a]2)	120.1963	1.588	6	120.1963	2.522	6	120.1963	2.522	6	120.5783	3.657	34	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	P-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(PC[6a]2C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(PC[6a]2C[5])(C[6a]C[6a]2)	120.0710	0.482	2	120.0710	0.233	2	120.0710	0.233	2	120.5783	3.657	34	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	P[5,5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NP[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(P[5,5]N[5,5]N[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NP[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(P[5,5]N[5,5]N[5]2)(C[6a]C[6a]2)	120.2195	3.627	2	120.2195	13.153	2	119.7887	5.024	4	120.5783	3.657	34	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	P[5,5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NP[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(P[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NP[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(P[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)	119.3580	1.085	2	119.3580	1.177	2	119.7887	5.024	4	120.5783	3.657	34	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	P[6,6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NP[6,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(P[6,6]P[6,6]C[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NP[6,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(P[6,6]P[6,6]C[6]2)(C[6a]C[6a]2)	120.5503	3.233	6	120.5503	10.454	6	120.5503	10.454	6	120.5783	3.657	34	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Si[3]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NSi[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Si[3]C[3]C[5]N[3])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Si[3]C[3]C[5]N[3])(C[6a]C[6a]2)	120.9990	0.703	2	120.9990	0.494	2	120.9990	0.494	2	120.5783	3.657	34	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Si[4]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NSi[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Si[4]N[4]2P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Si[4]N[4]2P)(C[6a]C[6a]2)	120.9128	1.510	4	120.9128	2.280	4	120.9128	2.280	4	120.5783	3.657	34	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Si[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NSi[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Si[5]C[5]N[5]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Si[5]C[5]N[5]N)(C[6a]C[6a]2)	121.5025	0.661	2	121.5025	0.437	2	121.5220	4.217	6	120.5783	3.657	34	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Si[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NSi[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Si[5]C[5]N[5]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Si[5]C[5]N[5]P)(C[6a]C[6a]2)	121.1935	1.744	2	121.1935	3.043	2	121.5220	4.217	6	120.5783	3.657	34	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Si[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NSi[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Si[5]C[5]N[5]Si)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Si[5]C[5]N[5]Si)(C[6a]C[6a]2)	121.8700	4.141	2	121.8700	17.146	2	121.5220	4.217	6	120.5783	3.657	34	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[3]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[3]C[3]N[3]NN)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[3]C[3]N[3]NN)(C[6a]C[6a]2)	120.0810	0.095	2	120.0810	0.009	2	120.0810	0.009	2	119.7829	0.247	18	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[4,6]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[4,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[4,6]N[4,6]C[4]N[6]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[4,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[4,6]N[4,6]C[4]N[6]N)(C[6a]C[6a]2)	120.1445	0.105	4	120.1445	0.011	4	120.1445	0.011	4	119.7829	0.247	18	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[4]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[4]N[4]2NN)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[4]N[4]2NN)(C[6a]C[6a]2)	119.7710	0.081	2	119.7710	0.006	2	119.7710	0.006	2	119.7829	0.247	18	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[5]C[5]N[5]N[6]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[5]C[5]N[5]N[6]N)(C[6a]C[6a]2)	119.5555	0.501	2	119.5555	0.251	2	119.5555	0.251	2	119.7829	0.247	18	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[6]N[6]2Cl2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[6]N[6]2Cl2)(C[6a]C[6a]2)	119.4245	0.216	2	119.4245	0.047	2	119.7292	0.455	6	119.7829	0.247	18	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[6]N[6]2OO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[6]N[6]2OO)(C[6a]C[6a]2)	119.7420	0.355	2	119.7420	0.126	2	119.7292	0.455	6	119.7829	0.247	18	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[6]N[6]3O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[6]N[6]3O)(C[6a]C[6a]2)	120.0210	1.321	2	120.0210	1.745	2	119.7292	0.455	6	119.7829	0.247	18	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	5:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	P[5,5]-5:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NP[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NP[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)	119.1625	0.177	2	119.1625	0.032	2	119.1625	0.032	2	119.7829	0.247	18	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[3,3,5]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[3,3,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[3,3,5]Nb[3,3,5]C[5]N[5]O[3]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[3,3,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[3,3,5]Nb[3,3,5]C[5]N[5]O[3]2)(C[6a]C[6a]2)	119.4770	1.010	2	119.4770	1.020	2	119.4770	1.020	2	119.6065	0.546	32	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[3,3,6]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[3,3,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[3,3,6]C[3,3]N[3]N[6]2O[3])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[3,3,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[3,3,6]C[3,3]N[3]N[6]2O[3])(C[6a]C[6a]2)	119.6857	0.603	6	119.6857	0.363	6	119.9347	0.784	8	119.6065	0.546	32	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[3,3,6]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[3,3,6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[3,3,6]Nb[3,3]N[6]2O[3]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[3,3,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[3,3,6]Nb[3,3]N[6]2O[3]2)(C[6a]C[6a]2)	120.6820	1.476	2	120.6820	2.180	2	119.9347	0.784	8	119.6065	0.546	32	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[3,3]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[3,3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[3,3]Nb[3,3,6]N[6]O[3]2N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[3,3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[3,3]Nb[3,3,6]N[6]O[3]2N)(C[6a]C[6a]2)	119.6490	0.454	2	119.6490	0.206	2	119.6490	0.206	2	119.6065	0.546	32	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[3,5,5]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[3,5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[3,5,5]C[3,5]C[5]N[3]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[3,5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[3,5,5]C[3,5]C[5]N[3]N[5]O[5])(C[6a]C[6a]2)	119.6328	0.925	4	119.6328	0.856	4	119.6328	0.856	4	119.6065	0.546	32	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[3x3,5]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[3x3,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[3x3,5]C[3,3]2C[3,5]N[3]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[3x3,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[3x3,5]C[3,3]2C[3,5]N[3]N[5])(C[6a]C[6a]2)	119.8775	1.473	2	119.8775	2.169	2	119.8775	2.169	2	119.6065	0.546	32	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[5,5]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[5,5]C[5,6a]2N[5]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[5,5]C[5,6a]2N[5]2Cl)(C[6a]C[6a]2)	119.3692	0.481	4	119.3692	0.231	4	119.4693	0.227	8	119.6065	0.546	32	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[5,5]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[5,5]C[5,6a]2N[5]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[5,5]C[5,6a]2N[5]2O)(C[6a]C[6a]2)	119.6355	0.579	2	119.6355	0.335	2	119.4693	0.227	8	119.6065	0.546	32	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[5,5]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(Nb[5,5]C[5,6a]2N[5]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(Nb[5,5]C[5,6a]2N[5]2Cl)(C[6a]C[6a]2)	119.5030	0.680	2	119.5030	0.463	2	119.4693	0.227	8	119.6065	0.546	32	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[5]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[5]O[5]2Cl3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[5]O[5]2Cl3)(C[6a]C[6a]2)	119.0985	0.576	2	119.0985	0.332	2	119.2728	0.406	6	119.6065	0.546	32	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[5]-6:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(Nb[5]O[5]2Cl2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(Nb[5]O[5]2Cl2O)(C[6a]C[6a]2)	119.3600	0.732	4	119.3600	0.535	4	119.2728	0.406	6	119.6065	0.546	32	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	7:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[3,5,5]-7:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[3,5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[3,5,5]C[5,6a]2C[3]H[3]N[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[3,5,5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[3,5,5]C[5,6a]2C[3]H[3]N[5]2)(C[6a]C[6a]2)	120.8030	0.324	2	120.8030	0.105	2	120.8030	0.105	2	120.8030	0.105	2	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	8:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[5x3]-8:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[5x3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[5x3]C[3,3,5]5SiP)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[5x3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[5x3]C[3,3,5]5SiP)(C[6a]C[6a]2)	120.1420	0.346	4	120.1420	0.120	4	119.7869	0.215	8	119.8561	0.438	10	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	8:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[5x3]-8:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[5x3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(Nb[5x3]C[3,3,5]5CN)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[5x3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(Nb[5x3]C[3,3,5]5CN)(C[6a]C[6a]2)	119.2985	0.078	2	119.2985	0.006	2	119.7869	0.215	8	119.8561	0.438	10	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	8:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[5x3]-8:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[5x3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(Nb[5x3]C[3,3,5]5Cl2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[5x3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(Nb[5x3]C[3,3,5]5Cl2)(C[6a]C[6a]2)	119.5650	0.242	2	119.5650	0.058	2	119.7869	0.215	8	119.8561	0.438	10	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:4:	8:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	Nb[6x3]-8:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NNb[6x3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[6x3]C[3,3]5N[3]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NNb[6x3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[6x3]C[3,3]5N[3]2)(C[6a]C[6a]2)	120.1330	1.498	2	120.1330	2.243	2	120.1330	2.243	2	119.8561	0.438	10	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NO)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NO){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(O)	116.4980	0.093	2	116.4980	0.009	2	116.4980	0.009	2	116.4980	0.009	2	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	4:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC)	C[6a](C[6]C[6]2Mo)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CMo)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC){1|Mo<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]2Mo)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(CMo)	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(NC)	C[6a](C[5]C[5]2Ti)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CClC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(NC){1|Ti<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]2Ti)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,6|C<4>}	N(C[6a]C[6a]2)(CClC)	117.8910	0.000	1	117.8910	0.000	1	118.4210	0.562	2	121.8704	12.358	5	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC)	C[6a](C[5]C[5]2Ti)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CClC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC){1|Ti<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]2Ti)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>,4|C<4>}	N(C[6a]C[6a]2)(CClC)	118.9510	0.000	1	118.9510	0.000	1	118.4210	0.562	2	121.8704	12.358	5	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC)	C[6a](C[6]C[6]2Co)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCoC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC){1|Co<8>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]2Co)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>,4|C<4>}	N(C[6a]C[6a]2)(CCoC)	124.5220	0.000	1	124.5220	0.000	1	124.1700	4.604	3	121.8704	12.358	5	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC)	C[6a](C[6]C[6]2Fe)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CFe2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC){1|Fe<8>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]2Fe)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>,4|C<4>}	N(C[6a]C[6a]2)(CFe2)	121.8700	0.000	1	121.8700	0.000	1	124.1700	4.604	3	121.8704	12.358	5	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]C)	126.1180	0.000	1	126.1180	0.000	1	124.1700	4.604	3	121.8704	12.358	5	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(NS)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]CO)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(NS){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(SC[6a]CO)	122.3390	0.000	1	122.3390	0.000	1	122.3390	0.000	1	122.2005	0.038	2	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	4:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NS)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[5a]OO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NS){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(SC[5a]OO)	122.0620	0.000	1	122.0620	0.000	1	122.0620	0.000	1	122.2005	0.038	2	120.1136	12.201	12023	120.0819	12.277	12234
643	643	941	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	6:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])2(NN)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])2(NN){1|C<3>,2|C<6>,2|H<1>,8|B<6>}	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<6>,5|B<6>,6|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.9265	1.124	2	117.9265	1.262	2	117.9265	1.262	2	117.9265	1.262	2	120.1136	12.201	12023	120.0819	12.277	12234