542	643	822	0:SP2_SP2_SP3	N[5]	C[6a]	As[3,5]	3:3:3:	3:3:3:	3:3:3:	As[3,5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[3]-3:As[3,5]-3:N[5]-3:	N[5](As[3,5]As[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](N[5]As[3,5]C[5])(C[6a]C[6a]2)2	As[3,5](N[3]As[3,5]C[6a])(As[3,5]C[5]N[3])(N[5]C[6a]C[5])	N[5](As[3,5]As[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,5|C<3>}	C[6a](N[5]As[3,5]C[5])(C[6a]C[6a]2)2{1|As<3>,1|N<3>,3|H<1>,6|C<3>}	As[3,5](N[3]As[3,5]C[6a])(As[3,5]C[5]N[3])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	120.7300	0.000	1	120.7300	0.000	1	120.7300	0.000	1	120.7300	0.000	1	120.7300	0.000	1	120.7300	0.000	1
542	643	838	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:3:3:	3:3:3:	3:3:2:	C[5,5]-3:C[6a]-3:Ga[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:P-2:	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(Ga[5]N[5]P)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])2(PGa[6])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(Ga[5]N[5]P){2|C<4>,6|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|H<1>,3|C<3>}	Ga[5](N[5]C[5,5]C[6a])2(PGa[6]){6|C<3>}	131.3580	4.220	2	131.3580	17.809	2	131.3580	17.809	2	131.3580	17.809	2	130.8454	13.283	8	130.8454	13.283	8
542	643	838	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:3:3:	3:3:3:	3:3:3:	Ga[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:Ga[5]-3:	N[5](Ga[5]Ga[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[6a]C[5])2(Ga[5]N[5]2)	N[5](Ga[5]Ga[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|C<4>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Ga<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Ga[5](N[5]C[6a]C[5])2(Ga[5]N[5]2){2|C<4>,8|C<3>}	129.1923	1.203	3	129.1923	1.447	3	129.1923	1.447	3	129.2822	4.080	5	130.8454	13.283	8	130.8454	13.283	8
542	643	838	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:3:3:	3:3:3:	3:3:3:	Ga[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:Ge[4]-3:	N[5](Ga[5]Ge[4]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[6a]C[5])2(Ge[4]N[4]2)	N[5](Ga[5]Ge[4]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	Ga[5](N[5]C[6a]C[5])2(Ge[4]N[4]2){2|H<1>,7|C<3>}	129.4170	3.656	2	129.4170	13.364	2	129.4170	13.364	2	129.2822	4.080	5	130.8454	13.283	8	130.8454	13.283	8
542	643	838	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:Ga[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:Ga[5]-3:C[5]-3:	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])(Ga[5]C[5]N[5])(C[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|Ga<3>,2|H<1>,5|C<3>}	Ga[5](N[5]C[5,5]C[6a])(Ga[5]C[5]N[5])(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	137.6360	0.000	1	137.6360	0.000	1	137.6360	0.000	1	137.6360	0.000	1	130.8454	13.283	8	130.8454	13.283	8
542	643	838	0:SP3_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:3:3:	3:3:3:	3:3:3:	Ga[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:Ga[5]-3:	N[5](Ga[5]Ga[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[6a]C[5])2(Ga[5]N[5]2)	N[5](Ga[5]Ga[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|C<4>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Ga<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Ga[5](N[5]C[6a]C[5])2(Ga[5]N[5]2){2|C<4>,8|C<3>}	126.7760	0.000	1	126.7760	0.000	1	126.7760	0.000	1	126.7760	0.000	1	132.3735	62.664	2	132.3735	62.664	2
542	643	838	0:SP3_SP-NON_SP2	N[5]	C[6a]	Ga[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:Ga[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:Ga[5]-3:C[5]-3:	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])(Ga[5]C[5]N[5])(C[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|Ga<3>,2|H<1>,5|C<3>}	Ga[5](N[5]C[5,5]C[6a])(Ga[5]C[5]N[5])(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	137.9710	0.000	1	137.9710	0.000	1	137.9710	0.000	1	137.9710	0.000	1	132.3735	62.664	2	132.3735	62.664	2
542	643	852	0:SP2_SP2_SP3	N[5,5]	C[6a]	P[3,5,5]	3:4:3:	3:3:3:	3:3:3:	P[3,5,5]-3:C[5,5]-4:C[6a]-3:	N[5,5]-3:C[6a]-3:C[6a]-3:	P[3,3,5]-3:P[3,3,5]-3:N[5,5]-3:	N[5,5](P[3,5,5]P[3,3,5]2)(C[5,5]C[3,5,5]CH)(C[6a]C[6a]2)	C[6a](N[5,5]P[3,5,5]C[5,5])(C[6a]C[6a]C)2	P[3,5,5](P[3,3,5]C[3,5,5]P[3,3,5])2(N[5,5]C[5,5]C[6a])	N[5,5](P[3,5,5]P[3,3,5]2)(C[5,5]C[3,5,5]CH)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>}	C[6a](N[5,5]P[3,5,5]C[5,5])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|P<3>,3|H<1>}	P[3,5,5](P[3,3,5]C[3,5,5]P[3,3,5])2(N[5,5]C[5,5]C[6a]){1|H<1>,1|O<2>,3|C<3>}	121.2830	0.000	1	121.2830	0.000	1	121.2830	0.000	1	121.2830	0.000	1	121.2830	0.000	1	121.2835	0.000	2
542	643	852	0:SP2_SP2_SP3	N[5]	C[6a]	P[3,5]	3:3:3:	3:3:3:	3:3:3:	P[3,5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[3]-3:P[3,5]-3:N[5]-3:	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](N[5]P[3,5]C[5])(C[6a]C[6a]2)2	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]C[5])	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,5|C<3>}	C[6a](N[5]P[3,5]C[5])(C[6a]C[6a]2)2{1|N<3>,1|P<3>,3|H<1>,6|C<3>}	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	121.2840	0.000	1	121.2840	0.000	1	121.2840	0.000	1	121.2840	0.000	1	121.2840	0.000	1	121.2835	0.000	2
542	643	852	0:SP3_SP2_SP3	N[5]	C[6a]	P[3,5]	3:3:2:	3:3:3:	3:3:3:	P[3,5]-3:C[6a]-3:P[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[3]-3:P[3,5]-3:N[5]-3:	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(P[5]C[5])	C[6a](N[5]P[3,5]P[5])(C[6a]C[6a]2)2	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]P[5])	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(P[5]C[5]){1|C<4>,5|C<3>}	C[6a](N[5]P[3,5]P[5])(C[6a]C[6a]2)2{1|N<3>,1|P<3>,2|H<1>,6|C<3>}	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]P[5]){1|C<4>,4|C<3>}	120.4550	0.000	1	120.4550	0.000	1	120.4550	0.000	1	120.4550	0.000	1	120.4550	0.000	1	120.4550	0.000	1
542	643	865	0:SP2_SP2_SP3	N[5]	C[6a]	P[3,5]	4:3:4:	3:3:3:	3:3:3:2:	P[3,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C[3]-3:P[3]-2:	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](N[5]P[3,5]C[5])(C[6a]C[6a]C)2	P[3,5](N[5]C[6a]C[5])2(C[3]P[3]O)(P[3]C[3])	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]P[3,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<2>,2|C<3>,4|H<1>}	P[3,5](N[5]C[6a]C[5])2(C[3]P[3]O)(P[3]C[3]){4|C<3>,4|H<1>}	124.5005	0.309	2	124.5005	0.095	2	124.5005	0.095	2	124.5005	0.095	2	124.5005	0.095	2	124.5005	0.095	2
542	643	882	0:SP2_SP2_SP3	N[5,5]	C[6a]	P[4,5,5]	3:3:3:	3:3:3:	3:3:3:	P[4,5,5]-3:C[5,5]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[6a]-3:	N[4,5]-3:N[5,5]-3:C[4,5]-3:	N[5,5](P[4,5,5]C[4,5]N[4,5])(C[5,5]P[4,5,5]N)(C[6a]C[6a]2)	C[6a](N[5,5]P[4,5,5]C[5,5])(C[6a]C[6a]2)2	P[4,5,5](N[4,5]P[4,5,5]C[6a])(N[5,5]C[5,5]C[6a])(C[4,5]P[4,5,5]N)	N[5,5](P[4,5,5]C[4,5]N[4,5])(C[5,5]P[4,5,5]N)(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](N[5,5]P[4,5,5]C[5,5])(C[6a]C[6a]2)2{1|N<2>,1|N<3>,1|P<3>,2|H<1>,6|C<3>}	P[4,5,5](N[4,5]P[4,5,5]C[6a])(N[5,5]C[5,5]C[6a])(C[4,5]P[4,5,5]N){1|N<2>,4|C<3>}	122.1940	0.000	1	122.1940	0.000	1	122.1940	0.000	1	122.1940	0.000	1	122.1940	0.000	1	122.1940	0.000	1
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5,5]	3:4:3:	3:3:3:	3:3:2:2:	C[5,5]-3:Ga[5,5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5,5]N[5]O[5]2)(C[6a]C[6a]2)	C[6a](N[5]Ga[5,5]C[5,5])(C[6a]C[6a]C)2	Ga[5,5](N[5]C[5,5]C[6a])2(O[5]C[5,6a])2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5,5]N[5]O[5]2)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5]Ga[5,5]C[5,5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	Ga[5,5](N[5]C[5,5]C[6a])2(O[5]C[5,6a])2{8|C<3>}	130.9265	2.394	2	130.9265	5.729	2	130.9265	5.729	2	130.9265	5.729	2	130.2786	10.969	8	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5,5]	3:4:3:	3:3:3:	3:3:3:4:	C[5,6a]-3:Ga[5,5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:O[5,5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]C)(C[6a]C[6a]2)	C[6a](N[5]C[5,6a]Ga[5,5])(C[6a]C[6a]F)2	Ga[5,5](N[5]C[5,6a]C[6a])2(O[5,5]C[5,6a]2)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]C)(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	C[6a](N[5]C[5,6a]Ga[5,5])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,1|O<3>,2|F<1>,3|C<3>}	Ga[5,5](N[5]C[5,6a]C[6a])2(O[5,5]C[5,6a]2)(CH3){8|C<3>}	126.1300	1.761	2	126.1300	3.100	2	126.1300	3.100	2	126.1300	3.100	2	130.2786	10.969	8	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5,5]	4:3:3:	3:3:3:	3:3:3:3:	Ga[5,5]-4:C[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:	N[5](Ga[5,5]N[5,6]2N[5])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2	N[5](Ga[5,5]N[5,6]2N[5])(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{2|C<3>,3|H<1>,3|N<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2{4|H<1>,8|C<3>}	129.8200	0.000	1	129.8200	0.000	1	129.8200	0.000	1	132.0290	6.813	4	130.2786	10.969	8	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5,5]	4:3:3:	3:3:3:	3:3:3:3:	Ga[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](Ga[5,5]N[5]3)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	Ga[5,5](N[5]C[6a]C[5])4	N[5](Ga[5,5]N[5]3)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,7|C<3>}	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{2|C<3>,3|H<1>,3|N<3>}	Ga[5,5](N[5]C[6a]C[5])4{4|H<1>,8|C<3>}	133.5185	3.245	2	133.5185	10.529	2	133.5185	10.529	2	132.0290	6.813	4	130.2786	10.969	8	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5,5]	4:3:3:	3:3:3:	3:3:3:3:	Ga[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:P[5]-3:P[5]-3:	N[5](Ga[5,5]N[5]P[5]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	Ga[5,5](N[5]C[6a]C[5])2(P[5]C[6a]P[5])2	N[5](Ga[5,5]N[5]P[5]2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|P<3>,5|C<3>}	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|P<3>,3|H<1>}	Ga[5,5](N[5]C[6a]C[5])2(P[5]C[6a]P[5])2{10|C<3>,2|H<1>}	131.2590	0.000	1	131.2590	0.000	1	131.2590	0.000	1	132.0290	6.813	4	130.2786	10.969	8	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5,6]	4:3:3:	3:3:3:	4:3:3:2:	Ga[5,6]-4:C[5,5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5,6]-4:N[5]-3:N[5]-3:O[6]-2:	N[5](Ga[5,6]Ga[5,6]N[5]O[6])(C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)	C[6a](N[5]Ga[5,6]C[5,5])(C[6a]C[6a]C)2	Ga[5,6](Ga[5,6]N[5]2O[6])(N[5]C[5,5]C[6a])2(O[6]C[5,6])	N[5](Ga[5,6]Ga[5,6]N[5]O[6])(C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|N<3>,7|C<3>}	C[6a](N[5]Ga[5,6]C[5,5])(C[6a]C[6a]C)2{1|Ga<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	Ga[5,6](Ga[5,6]N[5]2O[6])(N[5]C[5,5]C[6a])2(O[6]C[5,6]){12|C<3>}	134.3455	0.047	2	134.3455	0.002	2	134.3455	0.002	2	134.3455	0.002	2	134.3455	0.002	2	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,5]-3:Ga[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:I-1:I-1:	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]II)(C[6a]C[6a]2)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])2(I)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]II)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|I<1>,3|C<3>}	Ga[5](N[5]C[5,5]C[6a])2(I)2{6|C<3>}	131.7935	0.207	2	131.7935	0.043	2	131.7935	0.043	2	131.7935	0.043	2	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:4:3:	3:3:3:	3:3:2:2:	C[5,5]-3:Ga[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:O-2:N-2:	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]NO)(C[6a]C[6a]2)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])2(OSi)(NN)	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]NO)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	Ga[5](N[5]C[5,5]C[6a])2(OSi)(NN){6|C<3>}	131.4570	0.143	2	131.4570	0.020	2	131.4570	0.020	2	132.0487	0.639	4	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:4:3:	3:3:3:	3:3:2:2:	C[5,5]-3:Ga[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:O-2:O-2:	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]OO)(C[6a]C[6a]2)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])2(OGa[5])(OC[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]OO)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	Ga[5](N[5]C[5,5]C[6a])2(OGa[5])(OC[5]){6|C<3>}	132.6405	0.704	2	132.6405	0.495	2	132.6405	0.495	2	132.0487	0.639	4	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:4:3:	3:3:3:	3:3:3:1:	C[5,5]-3:Ga[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C[5]-3:I-1:	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]I)(C[6a]C[6a]2)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])2(C[5]C[5]N[5])(I)	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]I)(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|H<1>,4|C<3>}	Ga[5](N[5]C[5,5]C[6a])2(C[5]C[5]N[5])(I){1|H<1>,1|N<3>,8|C<3>}	135.4795	1.754	2	135.4795	3.078	2	135.4795	3.078	2	134.9580	2.355	3	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:4:3:	3:3:3:	3:3:3:1:	C[5,5]-3:Ga[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:N[6]-3:I-1:	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(I)	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|I<1>,2|H<1>,2|N<3>,3|C<3>}	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(I){2|H<1>,8|C<3>}	133.9150	0.000	1	133.9150	0.000	1	133.9150	0.000	1	134.9580	2.355	3	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:4:3:	3:3:3:	3:3:3:2:	C[5,5]-3:Ga[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C[5]-3:P-2:	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])2(C[5]C[5]N[5])(PC)	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|H<1>,4|C<3>}	Ga[5](N[5]C[5,5]C[6a])2(C[5]C[5]N[5])(PC){1|H<1>,1|N<3>,8|C<3>}	136.0460	3.042	2	136.0460	9.254	2	134.6908	6.715	4	133.3069	4.606	9	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:4:3:	3:3:3:	3:3:3:2:	C[5,5]-3:Ga[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C[5]-3:P-2:	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])2(C[5]N[5]2)(PC)	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2){2|C<4>,2|N<3>,6|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|H<1>,4|C<3>}	Ga[5](N[5]C[5,5]C[6a])2(C[5]N[5]2)(PC){2|C<4>,8|C<3>}	133.3355	1.883	2	133.3355	3.546	2	134.6908	6.715	4	133.3069	4.606	9	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:4:3:	3:3:3:	3:3:3:2:	C[5,5]-3:Ga[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:N[6]-3:P-2:	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PC)	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|P<2>,2|H<1>,2|N<3>,3|C<3>}	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PC){2|H<1>,8|C<3>}	132.3990	0.110	2	132.3990	0.012	2	132.1998	0.729	5	133.3069	4.606	9	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:4:3:	3:3:3:	3:3:3:2:	C[5,5]-3:Ga[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:N[6]-3:P-2:	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PP)	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|P<2>,2|H<1>,2|N<3>,3|C<3>}	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PP){2|H<1>,8|C<3>}	132.0670	1.177	3	132.0670	1.385	3	132.1998	0.729	5	133.3069	4.606	9	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:4:3:	3:3:3:	3:3:4:1:	C[5,5]-3:Ga[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:Ga[5]-4:I-1:	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]Ga[5]N[5]I)(C[6a]C[6a]2)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])2(Ga[5]N[5]2I)(I)	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]Ga[5]N[5]I)(C[6a]C[6a]2){1|I<1>,2|C<4>,2|N<3>,6|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|Ga<4>,1|I<1>,1|N<3>,2|H<1>,3|C<3>}	Ga[5](N[5]C[5,5]C[6a])2(Ga[5]N[5]2I)(I){10|C<3>}	133.2135	0.238	2	133.2135	0.057	2	133.2135	0.057	2	133.2135	0.057	2	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	4:3:3:	3:3:3:	3:3:1:1:	Ga[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:Cl-1:Cl-1:	N[5](Ga[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[6a]C[5])2(Cl)2	N[5](Ga[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]C){3|C<3>,3|C<4>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Ga[5](N[5]C[6a]C[5])2(Cl)2{2|C<4>,4|C<3>}	123.2875	1.107	2	123.2875	1.225	2	124.0765	1.536	4	124.0765	1.536	4	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	4:3:3:	3:3:3:	3:3:1:1:	Ga[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:Cl-1:Cl-1:	N[5](Ga[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[6a]C[5])2(Cl)2	N[5](Ga[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	Ga[5](N[5]C[6a]C[5])2(Cl)2{2|H<1>,4|C<3>}	124.8655	0.945	2	124.8655	0.894	2	124.0765	1.536	4	124.0765	1.536	4	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	4:3:3:	3:3:3:	3:3:3:3:	Ga[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:N[6]-3:O[5]-3:	N[5](Ga[5]N[5]N[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[6a]C[5])2(N[6]C[6,6a]2)(O[5]C[5]2)	N[5](Ga[5]N[5]N[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C){5|C<3>,5|C<4>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|O<3>,2|C<3>,2|H<1>,2|N<3>}	Ga[5](N[5]C[6a]C[5])2(N[6]C[6,6a]2)(O[5]C[5]2){4|C<4>,4|H<1>,8|C<3>}	130.6320	1.175	2	130.6320	1.381	2	130.6320	1.381	2	130.6320	1.381	2	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	4:3:3:	3:3:3:	3:3:4:1:	Ga[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:Ga[5]-4:Cl-1:	N[5](Ga[5]Ga[5]N[5]Cl)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[6a]C[5])2(Ga[5]N[5]2Cl)(Cl)	N[5](Ga[5]Ga[5]N[5]Cl)(C[6a]C[6a]2)(C[5]C[5]C){1|Cl<1>,2|N<3>,3|C<3>,3|C<4>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|Ga<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Ga[5](N[5]C[6a]C[5])2(Ga[5]N[5]2Cl)(Cl){2|C<4>,8|C<3>}	126.5760	0.123	2	126.5760	0.015	2	126.5760	0.015	2	126.5760	0.015	2	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	4:3:3:	3:3:3:	3:3:4:4:	Ga[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C-4:C-4:	N[5](Ga[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[6a]C[5])2(CH3)2	N[5](Ga[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){3|C<3>,4|C<4>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	Ga[5](N[5]C[6a]C[5])2(CH3)2{3|C<4>,4|C<3>}	127.7320	0.000	1	127.7320	0.000	1	127.7320	0.000	1	127.7320	0.000	1	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	4:3:3:	3:3:3:	4:3:1:1:	Ga[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-4:N[5]-3:H-1:H-1:	N[5](Ga[5]N[5]HH)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[6a]C[5]Li)(N[5]C[6a]C[5])(H)2	N[5](Ga[5]N[5]HH)(C[6a]C[6a]2)(C[5]C[5]H){1|Li<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<4>,5|H<1>}	Ga[5](N[5]C[6a]C[5]Li)(N[5]C[6a]C[5])(H)2{2|H<1>,4|C<3>}	127.9430	0.000	1	127.9430	0.000	1	127.9430	0.000	1	127.9430	0.000	1	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	4:3:4:	3:3:3:	3:3:4:4:	Ga[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C-4:C-4:	N[5](Ga[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[6a]C[5])2(CH3)2	N[5](Ga[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]CC){3|C<3>,3|C<4>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	Ga[5](N[5]C[6a]C[5])2(CH3)2{3|C<4>,4|C<3>}	127.7860	0.000	1	127.7860	0.000	1	127.7860	0.000	1	127.7860	0.000	1	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	4:3:4:	3:3:3:	4:3:1:1:	Ga[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-4:N[5]-3:Cl-1:H-1:	N[5](Ga[5]N[5,6]ClH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	Ga[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H)	N[5](Ga[5]N[5,6]ClH)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<4>,5|H<1>}	Ga[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H){2|C<3>,2|C<4>,8|H<1>}	127.7570	0.000	1	127.7570	0.000	1	127.7570	0.000	1	127.7570	0.000	1	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	4:3:4:	3:3:3:	4:4:3:1:	Ga[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5]-4:N[5,6]-4:N[5]-3:Cl-1:	N[5](Ga[5]N[5,6]Ga[5]Cl)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	Ga[5](Ga[5]N[5,6]N[5]Cl)(N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)	N[5](Ga[5]N[5,6]Ga[5]Cl)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,1|N<3>,1|N<4>,2|C<3>,2|H<1>,4|C<4>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|Ga<4>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	Ga[5](Ga[5]N[5,6]N[5]Cl)(N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl){3|C<3>,6|C<4>,8|H<1>}	129.6810	0.000	1	129.6810	0.000	1	129.6810	0.000	1	129.6810	0.000	1	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP2_SP-NON_SP2	N[5]	C[6a]	Ga[5]	4:4:3:	3:3:3:	3:3:1:1:	C[5]-4:Ga[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5]-3:I-1:I-1:	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(C[6a]C[6a]2)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	Ga[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(I)2	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|I<1>,3|H<1>}	Ga[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(I)2{1|C<4>,2|H<1>,4|C<3>}	121.7470	0.000	1	121.7470	0.000	1	121.7470	0.000	1	121.7470	0.000	1	130.4769	15.455	34	130.6167	14.330	44
542	643	885	0:SP3_SP-NON_SP2	N[5]	C[6a]	Ga[5,5]	4:3:3:	3:3:3:	3:3:3:3:	Ga[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](Ga[5,5]N[5]3)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	Ga[5,5](N[5]C[6a]C[5])4	N[5](Ga[5,5]N[5]3)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,7|C<3>}	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{2|C<3>,3|H<1>,3|N<3>}	Ga[5,5](N[5]C[6a]C[5])4{4|H<1>,8|C<3>}	131.6850	0.467	2	131.6850	0.218	2	131.6850	0.218	2	130.5703	3.836	3	130.5703	3.836	3	129.5473	4.983	7
542	643	885	0:SP3_SP-NON_SP2	N[5]	C[6a]	Ga[5,5]	4:3:3:	3:3:3:	3:3:3:3:	Ga[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:P[5]-3:P[5]-3:	N[5](Ga[5,5]N[5]P[5]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	Ga[5,5](N[5]C[6a]C[5])2(P[5]C[6a]P[5])2	N[5](Ga[5,5]N[5]P[5]2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|P<3>,5|C<3>}	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|P<3>,3|H<1>}	Ga[5,5](N[5]C[6a]C[5])2(P[5]C[6a]P[5])2{10|C<3>,2|H<1>}	128.3410	0.000	1	128.3410	0.000	1	128.3410	0.000	1	130.5703	3.836	3	130.5703	3.836	3	129.5473	4.983	7
542	643	885	0:SP3_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:4:3:	3:3:3:	3:3:3:1:	C[5,5]-3:Ga[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:N[6]-3:I-1:	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(I)	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|I<1>,2|H<1>,2|N<3>,3|C<3>}	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(I){2|H<1>,8|C<3>}	131.9830	0.000	1	131.9830	0.000	1	131.9830	0.000	1	131.9830	0.000	1	128.7800	5.576	4	129.5473	4.983	7
542	643	885	0:SP3_SP-NON_SP2	N[5]	C[6a]	Ga[5]	3:4:3:	3:3:3:	3:3:3:2:	C[5,5]-3:Ga[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:N[6]-3:P-2:	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PP)	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|P<2>,2|H<1>,2|N<3>,3|C<3>}	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PP){2|H<1>,8|C<3>}	126.4900	0.000	1	126.4900	0.000	1	126.4900	0.000	1	126.4900	0.000	1	128.7800	5.576	4	129.5473	4.983	7
542	643	885	0:SP3_SP-NON_SP2	N[5]	C[6a]	Ga[5]	4:3:3:	3:3:3:	3:3:3:3:	Ga[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:N[6]-3:P-3:	N[5](Ga[5]N[5]N[6]P)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	Ga[5](N[5]C[6a]C[5])2(N[6]C[6]2)(PC[6a]H)	N[5](Ga[5]N[5]N[6]P)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|P<3>,2|C<3>,2|N<3>,3|H<1>}	Ga[5](N[5]C[6a]C[5])2(N[6]C[6]2)(PC[6a]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	128.3235	0.899	2	128.3235	0.808	2	128.3235	0.808	2	128.3235	0.808	2	128.7800	5.576	4	129.5473	4.983	7
542	643	888	0:SP2_SP2_SP2	N[5]	C[6a]	Se[5]	3:3:3:	3:3:3:	3:3:3:	Se[5]-3:C[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](Se[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](Se[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	122.7200	0.000	1	121.7575	1.853	2	121.7575	1.853	2	121.7575	1.853	2	121.7575	1.853	2	121.7575	1.853	2
542	643	888	0:SP2_SP2_SP2	N[5]	C[6a]	Se[5]	3:3:3:	3:3:3:	3:3:3:	Se[5]-3:C[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](Se[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](Se[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	120.7950	0.000	1	121.7575	1.853	2	121.7575	1.853	2	121.7575	1.853	2	121.7575	1.853	2	121.7575	1.853	2
542	643	891	0:SP2_SP2_SP2	N[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](N[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](N[5]C[6a]N[5])(C[5]C[5]2)	N[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){2|H<1>,4|C<3>}	C[6a](N[5]N[5]S[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	S[5](N[5]C[6a]N[5])(C[5]C[5]2){5|C<3>}	122.9920	0.000	1	122.9920	0.000	1	122.9920	0.000	1	122.9920	0.000	1	121.6355	3.680	2	121.6355	3.680	2
542	643	891	0:SP2_SP2_SP2	N[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[5,5a]-3:C[6a]-3:S[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]2)(S[5]C[5])	C[6a](N[5]C[5,5a]S[5])(C[6a]C[6a]H)2	S[5](N[5]C[5,5a]C[6a])(C[5]N[5,5a]N)	N[5](C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]2)(S[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[5]C[5,5a]S[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	S[5](N[5]C[5,5a]C[6a])(C[5]N[5,5a]N){1|N<2>,3|C<3>}	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	121.6355	3.680	2	121.6355	3.680	2
542	643	891	0:SP2_SP2_SP3	N[5]	C[6a]	S[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:S[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	C[5,6]-4:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6])	C[6a](C[6a]C[6a]Cl)(N[5]N[5]S[5])(C[6a]C[6a]H)	S[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6]){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(N[5]N[5]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	S[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]N[5]){2|O<2>,4|C<3>}	121.1670	0.000	1	121.1670	0.000	1	121.1670	0.000	1	121.1670	0.000	1	120.8120	4.598	7	120.8120	4.598	7
542	643	891	0:SP2_SP2_SP3	N[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[5,5]-3:C[6a]-3:S[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(S[5]N[5])	C[6a](N[5]C[5,5]S[5])(C[6a]C[6a]H)2	S[5](N[5]C[5,5]C[6a])2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(S[5]N[5]){2|H<1>,6|C<3>}	C[6a](N[5]C[5,5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	S[5](N[5]C[5,5]C[6a])2{6|C<3>}	120.8170	5.114	2	120.8170	26.151	2	120.8170	26.151	2	120.7528	5.489	6	120.8120	4.598	7	120.8120	4.598	7
542	643	891	0:SP2_SP2_SP3	N[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:S[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]N[5])	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)2	S[5](N[5]C[6a]C[5])2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]N[5]){2|H<1>,6|C<3>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	S[5](N[5]C[6a]C[5])2{6|C<3>}	121.1160	0.419	2	121.1160	0.175	2	121.1160	0.175	2	120.7528	5.489	6	120.8120	4.598	7	120.8120	4.598	7
542	643	891	0:SP2_SP2_SP3	N[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]N[5])	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)2	S[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]N[5]){3|C<3>,3|H<1>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	S[5](N[5]C[6a]C[5])2{2|H<1>,4|C<3>}	120.3255	0.692	2	120.3255	0.479	2	120.3255	0.479	2	120.7528	5.489	6	120.8120	4.598	7	120.8120	4.598	7
542	643	928	0:SP2_SP2_SPD6	N[5]	C[6a]	Si[5,6,6]	6:3:4:	3:3:3:	3:3:2:2:3:3:	Si[5,6,6]-6:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](N[5]Si[5,6,6]C[5])(C[6a]C[6a]H)2	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|H<1>,7|C<3>}	C[6a](N[5]Si[5,6,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,3|N<3>,4|H<1>}	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2{10|C<3>,4|H<1>}	131.9712	0.409	4	131.9712	0.168	4	131.9712	0.168	4	131.9712	0.168	4	131.9712	0.168	4	131.9712	0.168	4
542	643	931	0:SP2_SP2_SPD5	N[5]	C[6a]	Si[5]	4:5:3:	3:3:3:	3:3:1:1:1:	C[5]-4:Si[5]-5:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5]-3:Cl-1:Cl-1:Cl-1:	N[5](C[5]C[5,6]C[5]H)(Si[5]N[5,6]Cl3)(C[6a]C[6a]2)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3	N[5](C[5]C[5,6]C[5]H)(Si[5]N[5,6]Cl3)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{3|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3{1|C<4>,2|H<1>,4|C<3>}	124.4365	0.176	2	124.4365	0.031	2	124.4365	0.031	2	125.6900	4.729	3	126.4588	2.966	6	126.4588	2.966	6
542	643	931	0:SP2_SP2_SPD5	N[5]	C[6a]	Si[5]	4:5:3:	3:3:3:	3:3:1:1:1:	P[5]-4:Si[5]-5:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:Cl-1:Cl-1:Cl-1:	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl3)(C[6a]C[6a]2)	C[6a](N[5]Si[5]P[5])(C[6a]C[6a]C)2	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl3)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5]Si[5]P[5])(C[6a]C[6a]C)2{3|Cl<1>,2|H<1>,5|C<3>}	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3{5|C<3>}	128.1970	0.000	1	128.1970	0.000	1	128.1970	0.000	1	125.6900	4.729	3	126.4588	2.966	6	126.4588	2.966	6
542	643	931	0:SP2_SP2_SPD5	N[5]	C[6a]	Si[5]	4:5:3:	3:3:3:	3:3:4:1:1:	P[5]-4:Si[5]-5:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:C-4:Cl-1:Cl-1:	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2)	C[6a](N[5]Si[5]P[5])(C[6a]C[6a]C)2	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5]Si[5]P[5])(C[6a]C[6a]C)2{2|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2{5|C<3>}	127.3060	1.336	2	127.3060	1.786	2	127.3060	1.786	2	127.3060	1.786	2	126.4588	2.966	6	126.4588	2.966	6
542	643	931	0:SP2_SP2_SPD5	N[5]	C[6a]	Si[5]	5:4:3:	3:3:3:	3:3:1:1:1:	Si[5]-5:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5]-3:Cl-1:Cl-1:Cl-1:	N[5](Si[5]N[5,6]Cl3)(C[5]C[5,6]HH)(C[6a]C[6a]2)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3	N[5](Si[5]N[5,6]Cl3)(C[5]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{3|Cl<1>,1|N<3>,2|C<3>,4|H<1>}	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3{3|H<1>,4|C<3>}	127.0710	0.000	1	127.0710	0.000	1	127.0710	0.000	1	127.0710	0.000	1	126.4588	2.966	6	126.4588	2.966	6
542	643	937	0:SP2_SP1_SP2	N[5]	C[6a]	Si[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:Si[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Si[5]N[5])	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	Si[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Si[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	Si[5](N[5]C[6a]C[5])2{2|H<1>,4|C<3>}	125.4170	0.396	2	125.4170	0.157	2	125.4170	0.157	2	125.4170	0.157	2	125.4170	0.157	2	125.4170	0.157	2
542	643	939	0:SP2_SP2_SP2	N[5]	C[6a]	Ge[5]	3:3:3:	3:3:3:	3:3:1:	Ge[5]-3:C[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:Cl-1:	N[5](Ge[5]C[5,6a]Cl)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2	Ge[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(Cl)	N[5](Ge[5]C[5,6a]Cl)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	Ge[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(Cl){1|C<4>,1|O<2>,4|C<3>}	120.3710	0.409	2	120.3710	0.167	2	120.3710	0.167	2	120.3710	0.167	2	116.1835	40.601	22	116.1835	40.601	22
542	643	939	0:SP2_SP2_SP2	N[5]	C[6a]	Ge[5]	3:3:3:	3:3:3:	3:3:3:	Ge[5]-3:C[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	Ge[5]-3:C[5,6a]-3:N[5]-3:	N[5](Ge[5]C[5,6a]Ge[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2	Ge[5](Ge[5]C[5,6a]N[5])(C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])	N[5](Ge[5]C[5,6a]Ge[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>}	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2{1|Ge<3>,1|C<4>,2|H<1>,3|C<3>}	Ge[5](Ge[5]C[5,6a]N[5])(C[5,6a]C[5,6a]2)(N[5]C[6a]C[5]){1|C<4>,1|O<2>,8|C<3>}	121.9765	1.329	2	121.9765	1.765	2	121.9765	1.765	2	123.5483	8.295	3	116.1835	40.601	22	116.1835	40.601	22
542	643	939	0:SP2_SP2_SP2	N[5]	C[6a]	Ge[5]	3:3:3:	3:3:3:	3:3:3:	Ge[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:Ge[6]-3:C[5]-3:	N[5](Ge[5]Ge[6]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2	Ge[5](N[5]C[6a]C[5])(Ge[6]N[6]2)(C[5]C[5]C)	N[5](Ge[5]Ge[6]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2{1|Ge<3>,1|C<4>,2|H<1>,3|C<3>}	Ge[5](N[5]C[6a]C[5])(Ge[6]N[6]2)(C[5]C[5]C){1|C<4>,1|H<1>,6|C<3>}	126.6920	0.000	1	126.6920	0.000	1	126.6920	0.000	1	123.5483	8.295	3	116.1835	40.601	22	116.1835	40.601	22
542	643	939	0:SP2_SP2_SP2	N[5]	C[6a]	Ge[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:Ge[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:I-1:	N[5](C[5]N[5,5]C[6a])(Ge[5]C[5,5]I)(C[6a]C[6a]2)	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I)	N[5](C[5]N[5,5]C[6a])(Ge[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|I<1>,1|N<3>,2|C<3>,2|H<1>}	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I){8|C<3>}	128.1840	0.769	2	128.1840	0.592	2	128.1840	0.592	2	123.8863	55.706	3	116.1835	40.601	22	116.1835	40.601	22
542	643	939	0:SP2_SP2_SP2	N[5]	C[6a]	Ge[5]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:Ge[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:N[5]-3:Cl-1:	N[5](C[6a]C[6a]2)(Ge[5]P[5]Cl)(C[5]C[5]C)	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]C[5])(Cl)	N[5](C[6a]C[6a]2)(Ge[5]P[5]Cl)(C[5]C[5]C){2|C<4>,5|C<3>}	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|P<4>,2|C<3>,2|H<1>}	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]C[5])(Cl){1|C<4>,7|C<3>}	115.2910	0.000	1	115.2910	0.000	1	115.2910	0.000	1	123.8863	55.706	3	116.1835	40.601	22	116.1835	40.601	22
542	643	939	0:SP2_SP2_SP2	N[5]	C[6a]	Ge[5]	3:3:3:	3:3:3:	4:3:3:	C[5,5,6]-3:Ge[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	P[5,5]-4:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]2)(Ge[5]P[5,5]C[6a])(C[6a]C[6a]2)	C[6a](N[5]C[5,5,6]Ge[5])(C[6a]C[6a]C)2	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)	N[5](C[5,5,6]C[5,5,6]2)(Ge[5]P[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<3>,4|C<3>,5|C<4>}	C[6a](N[5]C[5,5,6]Ge[5])(C[6a]C[6a]C)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	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>}	122.7140	0.000	1	122.7140	0.000	1	122.7140	0.000	1	122.7140	0.000	1	116.1835	40.601	22	116.1835	40.601	22
542	643	939	0:SP2_SP2_SP2	N[5]	C[6a]	Ge[5]	3:3:3:	3:3:3:	5:3:2:	Ge[5]-3:C[6a]-3:B[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	Ge[3,3,5]-5:N[5]-3:C-2:	N[5](Ge[5]Ge[3,3,5]C)(C[6a]C[6a]2)(B[5]N[5]N)	C[6a](N[5]Ge[5]B[5])(C[6a]C[6a]C)2	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN)	N[5](Ge[5]Ge[3,3,5]C)(C[6a]C[6a]2)(B[5]N[5]N){1|B<4>,2|C<4>,2|N<3>,3|C<3>}	C[6a](N[5]Ge[5]B[5])(C[6a]C[6a]C)2{1|Ge<5>,1|C<2>,1|C<3>,2|H<1>,2|N<3>}	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN){2|N<3>,5|C<3>}	110.4925	1.668	2	110.4925	2.782	2	110.4925	2.782	2	110.4925	2.782	2	116.1835	40.601	22	116.1835	40.601	22
542	643	939	0:SP2_SP2_SP2	N[5]	C[6a]	Ge[5]	4:3:3:	3:3:3:	4:3:1:	P[5]-4:C[6a]-3:Ge[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:N[5]-3:Cl-1:	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl)	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){1|Cl<1>,2|C<4>,8|C<3>}	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|Ge<3>,1|P<4>,2|H<1>,3|C<3>}	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl){1|Cl<1>,8|C<3>}	109.8695	0.613	2	110.3540	0.892	3	110.3540	0.892	3	111.7539	2.261	11	116.1835	40.601	22	116.1835	40.601	22
542	643	939	0:SP2_SP2_SP2	N[5]	C[6a]	Ge[5]	4:3:3:	3:3:3:	4:3:1:	P[5]-4:C[6a]-3:Ge[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:N[5]-3:Cl-1:	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl)	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){1|Ge<3>,2|C<4>,8|C<3>}	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|Ge<3>,1|P<4>,2|H<1>,3|C<3>}	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl){1|Ge<3>,8|C<3>}	111.3230	0.000	1	110.3540	0.892	3	110.3540	0.892	3	111.7539	2.261	11	116.1835	40.601	22	116.1835	40.601	22
542	643	939	0:SP2_SP2_SP2	N[5]	C[6a]	Ge[5]	4:3:3:	3:3:3:	4:3:1:	Si[5]-4:C[6a]-3:Ge[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:N[5]-3:Br-1:	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Br)	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br)	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Br){2|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|P<4>,2|H<1>,3|C<4>}	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br){2|C<4>,2|H<1>,6|C<3>}	111.3810	0.120	2	111.3810	0.014	2	112.3437	2.787	3	111.7539	2.261	11	116.1835	40.601	22	116.1835	40.601	22
542	643	939	0:SP2_SP2_SP2	N[5]	C[6a]	Ge[5]	4:3:3:	3:3:3:	4:3:1:	Si[5]-4:C[6a]-3:Ge[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:N[5]-3:Br-1:	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Br)	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br)	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Br){2|C<4>,2|H<1>,8|C<3>}	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<4>,1|P<4>,2|H<1>,3|C<3>}	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br){2|H<1>,8|C<3>}	114.2690	0.000	1	114.2690	0.000	1	112.3437	2.787	3	111.7539	2.261	11	116.1835	40.601	22	116.1835	40.601	22
542	643	939	0:SP2_SP2_SP2	N[5]	C[6a]	Ge[5]	4:3:3:	3:3:3:	4:3:1:	Si[5]-4:C[6a]-3:Ge[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:N[5]-3:Cl-1:	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Cl)	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl)	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Cl){2|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|P<4>,2|H<1>,3|C<4>}	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl){2|C<4>,2|H<1>,6|C<3>}	110.8600	0.594	2	110.8600	0.353	2	112.2400	1.787	5	111.7539	2.261	11	116.1835	40.601	22	116.1835	40.601	22
542	643	939	0:SP2_SP2_SP2	N[5]	C[6a]	Ge[5]	4:3:3:	3:3:3:	4:3:1:	Si[5]-4:C[6a]-3:Ge[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:N[5]-3:Cl-1:	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl)	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){2|C<4>,2|H<1>,8|C<3>}	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|P<4>,2|H<1>,3|C<3>}	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl){2|H<1>,8|C<3>}	113.1600	0.473	3	113.1600	0.224	3	112.2400	1.787	5	111.7539	2.261	11	116.1835	40.601	22	116.1835	40.601	22
542	643	946	0:SP2_SP1_SP2	N[5]	C[6a]	Ge[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Ge[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]N[5])	C[6a](N[5]C[5,6a]Ge[5])(C[6a]C[6a]C)2	Ge[5](N[5]C[5,6a]C[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[6a](N[5]C[5,6a]Ge[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	Ge[5](N[5]C[5,6a]C[6a])2{6|C<3>}	125.9677	1.694	8	125.9677	2.870	8	125.9677	2.870	8	125.9677	2.870	8	123.5727	27.728	10	123.5727	27.728	10
542	643	946	0:SP2_SP1_SP2	N[5]	C[6a]	Ge[5]	4:3:2:	3:3:3:	3:3:	Si[5]-4:C[6a]-3:Ge[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](Si[5]Si[5]CC)(C[6a]C[6a]2)(Ge[5]N[5])	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2	Ge[5](N[5]C[6a]Si[5])2	N[5](Si[5]Si[5]CC)(C[6a]C[6a]2)(Ge[5]N[5]){3|C<3>,4|C<4>}	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2{1|Si<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Ge[5](N[5]C[6a]Si[5])2{4|C<3>,4|C<4>}	113.9925	0.086	2	113.9925	0.007	2	113.9925	0.007	2	113.9925	0.007	2	123.5727	27.728	10	123.5727	27.728	10
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	3:4:3:	3:3:3:	3:3:3:1:	C[5,6a]-3:P[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(C[6a]C[6a]2)	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)2	P[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2)(Se)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)2{1|Se<1>,1|N<3>,2|H<1>,4|C<3>}	P[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2)(Se){2|H<1>,6|C<3>}	124.6350	0.000	1	124.6350	0.000	1	124.6350	0.000	1	124.6350	0.000	1	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	3:4:4:	3:3:3:	3:3:3:1:	C[6a]-3:C[5]-4:P[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C-3:O-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]CO)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](N[5]C[6a]C[5])2(CCC)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]CO){3|C<3>,4|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	P[5](N[5]C[6a]C[5])2(CCC)(O){4|C<3>,4|H<1>}	125.8880	0.113	2	125.8880	0.013	2	125.8880	0.013	2	125.8880	0.013	2	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:3:3:	3:3:3:	3:3:3:3:	P[5]-4:B[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	N[5](P[5]C[6a]2C[5])(B[5]C[5]C[6])(C[6a]C[6a]2)	C[6a](N[5]B[5]P[5])(C[6a]C[6a]C)2	P[5](N[5]C[6a]B[5])(C[6a]C[6a]2)2(C[5]C[5]C)	N[5](P[5]C[6a]2C[5])(B[5]C[5]C[6])(C[6a]C[6a]2){1|H<1>,5|C<4>,8|C<3>}	C[6a](N[5]B[5]P[5])(C[6a]C[6a]C)2{2|C<4>,2|H<1>,4|C<3>}	P[5](N[5]C[6a]B[5])(C[6a]C[6a]2)2(C[5]C[5]C){2|C<4>,4|H<1>,7|C<3>}	120.1210	0.000	1	120.1210	0.000	1	120.1210	0.000	1	120.0897	0.625	4	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:3:3:	3:3:3:	3:3:3:3:	P[5]-4:C[6a]-3:Ge[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	Ge[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2	P[5](Ge[5]Ge[5]P[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)2	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){1|Ge<3>,2|C<4>,8|C<3>}	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|Ge<3>,1|P<4>,2|H<1>,3|C<3>}	P[5](Ge[5]Ge[5]P[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)2{1|Cl<1>,2|P<4>,4|H<1>,8|C<3>}	119.1690	0.000	1	119.1690	0.000	1	119.1690	0.000	1	120.0897	0.625	4	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:3:3:	3:3:3:	3:3:3:3:	P[5]-4:C[6a]-3:Ge[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:Ge[5]-3:	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(Ge[5]P[5]Cl)	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){1|Cl<1>,2|C<4>,8|C<3>}	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|Ge<3>,1|P<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(Ge[5]P[5]Cl){1|Cl<1>,4|H<1>,8|C<3>}	120.5345	0.794	2	120.5345	0.631	2	120.5345	0.631	2	120.0897	0.625	4	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:3:4:	3:3:3:	3:3:1:1:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:Cl-1:O-1:	N[5](P[5]N[5]ClO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	P[5](N[5]C[6a]C[5])2(Cl)(O)	N[5](P[5]N[5]ClO)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	P[5](N[5]C[6a]C[5])2(Cl)(O){4|C<3>,4|H<1>}	123.9675	0.469	2	123.9675	0.220	2	123.9675	0.220	2	123.9675	0.220	2	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:3:4:	3:3:3:	3:3:2:1:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:S-1:	N[5](P[5]C[6a]O[5]S)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	P[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(S)	N[5](P[5]C[6a]O[5]S)(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<1>,2|C<3>,4|H<1>}	P[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(S){4|C<3>,6|H<1>}	124.6830	0.960	4	124.6830	0.922	4	124.6830	0.922	4	124.6830	0.922	4	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:3:4:	3:3:3:	3:3:3:1:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[5]-3:O-1:	N[5](P[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(O)	N[5](P[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	P[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(O){1|N<3>,4|C<3>,5|H<1>}	127.4570	0.000	1	127.4570	0.000	1	127.4570	0.000	1	127.4570	0.000	1	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:3:4:	3:3:3:	3:4:4:4:	B[5]-4:C[6a]-3:P[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:C-4:C-4:	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(P[5]C[5]CC)	C[6a](N[5]B[5]P[5])(C[6a]C[6a]H)2	P[5](N[5]C[6a]B[5])(C[5]C[5]CH)(CC3)2	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(P[5]C[5]CC){1|C<4>,5|H<1>,6|C<3>}	C[6a](N[5]B[5]P[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	P[5](N[5]C[6a]B[5])(C[5]C[5]CH)(CC3)2{2|H<1>,4|C<3>}	124.3710	0.000	1	124.3710	0.000	1	121.4385	17.199	2	121.4385	17.199	2	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:3:4:	3:3:3:	3:4:4:4:	B[5]-4:C[6a]-3:P[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:C-4:C-4:	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(P[5]C[5]CC)	C[6a](N[5]B[5]P[5])(C[6a]C[6a]H)2	P[5](N[5]C[6a]B[5])(C[5]C[5]CH)(CCCH)2	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(P[5]C[5]CC){1|C<4>,5|H<1>,6|C<3>}	C[6a](N[5]B[5]P[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	P[5](N[5]C[6a]B[5])(C[5]C[5]CH)(CCCH)2{2|H<1>,4|C<3>}	118.5060	0.000	1	118.5060	0.000	1	121.4385	17.199	2	121.4385	17.199	2	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:3:4:	3:3:3:	4:3:4:4:	B[5]-4:C[6a]-3:P[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C-4:C-4:	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(P[5]C[5]CC)	C[6a](N[5]B[5]P[5])(C[6a]C[6a]H)2	P[5](C[5]C[6a]C[5]H)(N[5]C[6a]B[5])(CC3)2	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(P[5]C[5]CC){5|H<1>,7|C<3>}	C[6a](N[5]B[5]P[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	P[5](C[5]C[6a]C[5]H)(N[5]C[6a]B[5])(CC3)2{2|H<1>,6|C<3>}	121.7980	0.000	1	121.7980	0.000	1	120.7600	2.155	2	120.7600	2.155	2	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:3:4:	3:3:3:	4:3:4:4:	B[5]-4:C[6a]-3:P[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C-4:C-4:	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(P[5]C[5]CC)	C[6a](N[5]B[5]P[5])(C[6a]C[6a]H)2	P[5](C[5]C[6a]C[5]H)(N[5]C[6a]B[5])(CCCH)2	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(P[5]C[5]CC){4|H<1>,8|C<3>}	C[6a](N[5]B[5]P[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	P[5](C[5]C[6a]C[5]H)(N[5]C[6a]B[5])(CCCH)2{1|H<1>,7|C<3>}	119.7220	0.000	1	119.7220	0.000	1	120.7600	2.155	2	120.7600	2.155	2	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:4:3:	3:3:3:	3:3:2:3:	C[5]-4:P[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5,5]-3:N[5]-3:N-2:N-3:	N[5](C[5]C[5,5]HH)(P[5]N[5,5]NN)(C[6a]C[6a]2)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(NC[6])(NCC)	N[5](C[5]C[5,5]HH)(P[5]N[5,5]NN)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(NC[6])(NCC){2|C<3>,2|C<4>,5|H<1>}	125.4080	0.000	1	125.4080	0.000	1	125.4080	0.000	1	125.4080	0.000	1	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:4:3:	3:3:3:	3:3:3:1:	P[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5,5]-3:N[5]-3:C[6a]-3:O-1:	N[5](P[5]N[5,5]C[6a]O)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(O)	N[5](P[5]N[5,5]C[6a]O)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	126.0950	0.000	1	125.7100	0.296	2	125.7100	0.296	2	125.7100	0.296	2	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:4:3:	3:3:3:	3:3:3:1:	P[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5,5]-3:N[5]-3:C[6a]-3:O-1:	N[5](P[5]N[5,5]C[6a]O)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(O)	N[5](P[5]N[5,5]C[6a]O)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(O){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	125.3250	0.000	1	125.7100	0.296	2	125.7100	0.296	2	125.7100	0.296	2	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:4:3:	3:3:3:	3:3:3:4:	P[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5,5]-3:N[5]-3:C[6a]-3:B-4:	N[5](P[5]N[5,5]C[6a]B)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(BH3)	N[5](P[5]N[5,5]C[6a]B)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(BH3){2|C<4>,4|C<3>,7|H<1>}	124.4860	0.000	1	124.4860	0.000	1	124.4860	0.000	1	124.4860	0.000	1	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:4:3:	3:3:3:	3:3:4:1:	C[5]-4:P[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5,5]-3:N[5]-3:C-4:O-1:	N[5](C[5]C[5,5]HH)(P[5]N[5,5]CO)(C[6a]C[6a]2)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CClHH)(O)	N[5](C[5]C[5,5]HH)(P[5]N[5,5]CO)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CClHH)(O){2|C<3>,2|C<4>,5|H<1>}	125.8110	0.000	1	125.8110	0.000	1	125.8110	0.000	1	125.8110	0.000	1	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:5:3:	3:3:3:	3:3:3:3:	P[5]-4:Ge[5]-5:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	N[5](P[5]C[6a]2C[5])(Ge[5]C[5]Cl3)(C[6a]C[6a]2)	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]C[5]C)	N[5](P[5]C[6a]2C[5])(Ge[5]C[5]Cl3)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2{3|Cl<1>,2|H<1>,5|C<3>}	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]C[5]C){3|Cl<1>,4|H<1>,7|C<3>}	115.4240	0.000	1	115.4240	0.000	1	115.4240	0.000	1	113.7512	1.981	4	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:5:3:	3:3:3:	3:3:3:3:	P[5]-4:Si[5]-5:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2)	C[6a](N[5]Si[5]P[5])(C[6a]C[6a]C)2	P[5](N[5]C[6a]Si[5])(C[6a]C[6a]2)2(C[5]C[5]C)	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5]Si[5]P[5])(C[6a]C[6a]C)2{2|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	P[5](N[5]C[6a]Si[5])(C[6a]C[6a]2)2(C[5]C[5]C){2|Cl<1>,1|C<4>,4|H<1>,7|C<3>}	113.3550	1.434	2	113.3550	2.056	2	113.1937	1.106	3	113.7512	1.981	4	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	4:5:3:	3:3:3:	3:3:3:3:	P[5]-4:Si[5]-5:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl3)(C[6a]C[6a]2)	C[6a](N[5]Si[5]P[5])(C[6a]C[6a]C)2	P[5](N[5]C[6a]Si[5])(C[6a]C[6a]2)2(C[5]C[5]C)	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl3)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5]Si[5]P[5])(C[6a]C[6a]C)2{3|Cl<1>,2|H<1>,5|C<3>}	P[5](N[5]C[6a]Si[5])(C[6a]C[6a]2)2(C[5]C[5]C){3|Cl<1>,4|H<1>,7|C<3>}	112.8710	0.000	1	112.8710	0.000	1	113.1937	1.106	3	113.7512	1.981	4	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	5:4:3:	3:3:3:	3:3:4:4:	In[5,5]-5:P[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:N[5]-3:C-4:C-4:	N[5](In[5,5]N[5,5,5a]N[5]Cl2)(P[5]C[5,5a]CC)(C[6a]C[6a]2)	C[6a](N[5]In[5,5]P[5])(C[6a]C[6a]C)2	P[5](C[5,5a]N[5,5,5a]C[5a])(N[5]In[5,5]C[6a])(CCCH)2	N[5](In[5,5]N[5,5,5a]N[5]Cl2)(P[5]C[5,5a]CC)(C[6a]C[6a]2){1|P<4>,2|C<4>,5|C<3>}	C[6a](N[5]In[5,5]P[5])(C[6a]C[6a]C)2{2|Cl<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	P[5](C[5,5a]N[5,5,5a]C[5a])(N[5]In[5,5]C[6a])(CCCH)2{2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	119.1885	3.893	2	119.1885	15.153	2	119.4575	3.144	6	119.4575	3.144	6	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP2_SP2_SP3	N[5]	C[6a]	P[5]	5:4:3:	3:3:3:	3:3:4:4:	In[5,5]-5:P[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:N[5]-3:C-4:C-4:	N[5](In[5,5]N[5,5,5a]N[5]Cl2)(P[5]C[5,5a]CC)(C[6a]C[6a]2)	C[6a](N[5]In[5,5]P[5])(C[6a]C[6a]H)2	P[5](C[5,5a]N[5,5,5a]C[5a])(N[5]In[5,5]C[6a])(CCCH)2	N[5](In[5,5]N[5,5,5a]N[5]Cl2)(P[5]C[5,5a]CC)(C[6a]C[6a]2){1|P<4>,2|H<1>,5|C<3>}	C[6a](N[5]In[5,5]P[5])(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	P[5](C[5,5a]N[5,5,5a]C[5a])(N[5]In[5,5]C[6a])(CCCH)2{2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	119.5920	0.342	4	119.5920	0.117	4	119.4575	3.144	6	119.4575	3.144	6	121.6414	16.704	33	121.6414	16.704	33
542	643	955	0:SP3_SP2_SP3	N[5]	C[6a]	P[5]	4:3:3:	3:3:3:	3:3:3:3:	P[5]-4:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]Zn)(C[6a]C[6a]2)	C[6a](N[5]N[5]P[5])(C[6a]C[6a]H)2	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[6a]C[6a]2)2	N[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]Zn)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](N[5]N[5]P[5])(C[6a]C[6a]H)2{1|Zn<4>,2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[6a]C[6a]2)2{1|Zn<4>,5|H<1>,8|C<3>}	117.8460	0.000	1	117.8460	0.000	1	117.8460	0.000	1	117.8460	0.000	1	117.8460	0.000	1	117.8460	0.000	1
542	643	955	6:SP2_SP2_SP3	N[5,6]	C[6,6a]	P[5,6]	3:4:4:	3:3:3:	3:3:2:1:	C[6,6a]-3:P[5,6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[6]-3:O[5]-2:S-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(P[5,6]N[6]O[5]S)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]P[5,6]C[5])(C[6a]C[6a]H)	P[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6]C)(O[5]C[5])(S)	N[5,6](C[6,6a]C[6,6a]C[6a])(P[5,6]N[6]O[5]S)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]P[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<1>,4|H<1>}	P[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6]C)(O[5]C[5])(S){1|O<1>,2|C<3>,4|H<1>}	121.1350	0.000	1	121.1350	0.000	1	121.1350	0.000	1	121.1350	0.000	1	121.1350	0.000	1	121.1350	0.000	1
542	643	959	0:SP2_SP2_SP3	N[5]	C[6a]	S[5]	3:4:4:	3:3:2:	3:3:1:1:	C[6a]-3:C[5]-4:S[5]-4:	N[5]-3:C[6a]-3:N[6a]-2:	C[5,6]-3:N[5]-3:O-1:O-1:	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6]HO)(S[5]C[5,6]OO)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	S[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(O)2	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6]HO)(S[5]C[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(O)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	121.8390	0.000	1	121.8390	0.000	1	121.8390	0.000	1	121.8390	0.000	1	121.9450	1.432	3	121.9450	1.432	3
542	643	959	0:SP2_SP2_SP3	N[5]	C[6a]	S[5]	3:4:4:	3:3:3:	3:2:1:1:	C[6a]-3:C[5]-4:S[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-2:O-1:O-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]N[5]OO)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](N[5]C[6a]C[5])(N[5]C[5])(O)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]N[5]OO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|O<1>,3|C<3>,3|H<1>}	S[5](N[5]C[6a]C[5])(N[5]C[5])(O)2{1|O<1>,2|C<3>,2|H<1>}	120.8050	0.000	1	120.8050	0.000	1	120.8050	0.000	1	120.8050	0.000	1	121.9450	1.432	3	121.9450	1.432	3
542	643	959	0:SP2_SP2_SP3	N[5]	C[6a]	S[5]	4:3:3:	3:3:3:	3:3:1:1:	S[5]-4:C[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]N)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|N<3>,4|C<3>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]N)2{2|H<1>,3|C<3>,3|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)2{1|H<1>,1|O<1>,4|C<3>}	123.1910	0.000	1	123.1910	0.000	1	123.1910	0.000	1	123.1910	0.000	1	121.9450	1.432	3	121.9450	1.432	3
542	643	959	0:SP3_SP2_SP3	N[5]	C[6a]	S[5]	4:3:3:	3:3:3:	3:3:1:1:	S[5]-4:C[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]N)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|N<3>,4|C<3>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]N)2{2|H<1>,3|C<3>,3|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)2{1|H<1>,1|O<1>,4|C<3>}	119.0360	0.000	1	119.0360	0.000	1	119.0360	0.000	1	119.0360	0.000	1	118.1093	2.219	3	118.1093	2.219	3
542	643	959	0:SP3_SP2_SP3	N[5]	C[6a]	S[5]	4:4:3:	3:3:3:	3:3:1:1:	C[5]-4:S[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(C[6a]C[6a]2)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)2	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	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>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)2{1|C<4>,2|H<1>,4|C<3>}	117.6460	1.775	2	117.6460	3.150	2	117.6460	3.150	2	117.6460	3.150	2	118.1093	2.219	3	118.1093	2.219	3
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	2:3:2:	3:3:3:	3:3:	Se[5]-2:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](N[5]Se[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])	N[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](N[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5]){1|H<1>,4|C<3>}	118.8347	0.857	4	118.8347	0.735	4	118.8347	0.735	4	118.8347	0.735	4	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:C[5]-2:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5])(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5])(N[5]C[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]C){3|C<3>}	116.5740	0.000	1	116.5740	0.000	1	116.5740	0.000	1	116.7223	5.100	7	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:C[5]-2:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5]){1|Br<1>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|Br<1>,4|C<3>}	115.0450	0.000	1	116.1380	2.389	2	116.5910	1.101	4	116.7223	5.100	7	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:C[5]-2:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|C<4>,4|C<3>}	117.2310	0.000	1	116.1380	2.389	2	116.5910	1.101	4	116.7223	5.100	7	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:C[5]-2:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){3|C<3>}	117.0440	0.303	2	117.0440	0.092	2	116.5910	1.101	4	116.7223	5.100	7	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6])	C[6a](C[6a]C[6a]Cl)(N[5]N[5]S[5])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[6a]S[5])	N[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6]){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(N[5]N[5]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[6a]S[5]){1|C<4>,1|O<2>,4|C<3>}	113.3860	0.000	1	113.3860	0.000	1	113.3860	0.000	1	116.7223	5.100	7	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](N[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]S[5])	N[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){2|H<1>,4|C<3>}	C[6a](N[5]N[5]S[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]S[5]){5|C<3>}	120.7320	0.000	1	120.7320	0.000	1	120.7320	0.000	1	116.7223	5.100	7	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5,5])2	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5,5])2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	118.1870	0.000	1	118.1817	0.209	3	118.3305	0.156	6	118.3305	0.156	6	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5,5])2	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5,5])2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5]){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	118.6360	0.000	1	118.1817	0.209	3	118.3305	0.156	6	118.3305	0.156	6	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5,5])2	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5,5])2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5]){1|N<3>,7|C<3>}	117.7220	0.000	1	118.1817	0.209	3	118.3305	0.156	6	118.3305	0.156	6	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5,5])2	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5,5])2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5]){2|C<4>,6|C<3>}	118.4820	0.481	2	118.4793	0.116	3	118.3305	0.156	6	118.3305	0.156	6	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5,5])2	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5,5])2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5]){8|C<3>}	118.4740	0.000	1	118.4793	0.116	3	118.3305	0.156	6	118.3305	0.156	6	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:2:2:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:N[6a]-2:N[6a]-2:	N[5]-3:C[5]-3:	N[5](C[6a]N[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]N[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|N<2>}	118.0190	0.266	2	118.0190	0.071	2	118.0190	0.071	2	118.0190	0.071	2	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:N[6a]-2:	N[5]-3:C[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5])	C[6a](N[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]N)	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]N){1|N<2>,3|C<3>}	118.6010	0.000	1	118.6010	0.000	1	118.6010	0.000	1	120.3498	1.885	5	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:N[6a]-2:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](N[5]C[6a]C[5])(N[5]C[5]Co)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|Co<6>,1|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Co){1|H<1>,1|N<2>,2|C<3>}	121.9480	0.000	1	121.9480	0.000	1	120.7870	1.240	4	120.3498	1.885	5	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:N[6a]-2:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](N[5]C[6a]C[5])(N[5]C[5]Cu)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|Cu<4>,1|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Cu){1|H<1>,1|N<2>,2|C<3>}	120.7920	1.000	2	120.7920	1.000	2	120.7870	1.240	4	120.3498	1.885	5	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:N[6a]-2:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](N[5]C[6a]C[5])(N[5]C[5]Pt)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|Pt<4>,1|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Pt){1|H<1>,1|N<2>,2|C<3>}	119.6160	0.000	1	119.6160	0.000	1	120.7870	1.240	4	120.3498	1.885	5	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:O[5]-2:	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(N[5]O[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(O[5]C[5])	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(O[5]C[5]){1|O<2>,3|C<3>}	115.3857	1.655	3	115.3857	2.737	3	115.3857	2.737	3	118.5365	6.261	18	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-2:	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ni<6>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]N[5]){1|Ni<6>,1|H<1>,2|C<3>}	121.0970	0.000	1	121.0970	0.000	1	120.0525	2.165	11	118.5365	6.261	18	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-2:	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5]){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5](N[5]C[6a]C[5])(N[5]N[5]){1|Pd<4>,1|N<3>,2|C<3>}	117.9575	1.948	2	117.9575	3.795	2	120.0525	2.165	11	118.5365	6.261	18	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-2:	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|F<1>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	120.4340	0.000	1	120.4340	0.000	1	120.0525	2.165	11	118.5365	6.261	18	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-2:	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|B<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]N[5]){1|B<4>,1|S<1>,2|C<3>}	120.1130	0.000	1	120.4473	1.125	7	120.0525	2.165	11	118.5365	6.261	18	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-2:	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|Cr<8>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]N[5]){1|Cr<8>,1|S<2>,2|C<3>}	119.3715	0.282	2	120.4473	1.125	7	120.0525	2.165	11	118.5365	6.261	18	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-2:	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]N[5]){1|Cu<4>,1|S<3>,2|C<3>}	120.2020	0.000	1	120.4473	1.125	7	120.0525	2.165	11	118.5365	6.261	18	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-2:	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|Pt<5>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]N[5]){1|Pt<5>,1|S<2>,2|C<3>}	120.9920	0.945	2	120.4473	1.125	7	120.0525	2.165	11	118.5365	6.261	18	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-2:	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]N[5])	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){2|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]N[5]){1|H<1>,1|S<2>,2|C<3>}	122.0890	0.000	1	120.4473	1.125	7	120.0525	2.165	11	118.5365	6.261	18	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:O[5]-2:	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]O[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](N[5]C[6a]C[5])(O[5]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]O[5]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(O[5]C[5]){1|B<4>,1|N<3>,2|C<3>}	115.1350	0.765	2	115.1350	0.585	2	116.7308	3.735	4	118.5365	6.261	18	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:O[5]-2:	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]O[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](N[5]C[6a]C[5])(O[5]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]O[5]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(O[5]C[5]){1|N<3>,1|S<2>,2|C<3>}	118.3265	0.658	2	118.3265	0.433	2	116.7308	3.735	4	118.5365	6.261	18	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	B[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]B[5]N[5])(C[6a]C[6a]C)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5])	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|H<1>,2|C<4>,6|C<3>}	C[6a](N[5]B[5]N[5])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5]){1|H<1>,6|C<3>}	114.3320	0.000	1	114.3320	0.000	1	113.1466	0.535	5	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	B[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5])	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5]){2|H<1>,5|C<3>}	112.8503	0.358	4	112.8503	0.128	4	113.1466	0.535	5	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H){1|B<4>,3|C<3>}	118.0280	0.409	2	118.0280	0.167	2	119.4576	2.415	5	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C)	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C){1|C<4>,1|N<2>,2|C<3>}	120.4107	1.157	3	120.4107	1.340	3	119.4576	2.415	5	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]Br)2(N[5]C[5]N[5])	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5,6]){2|Br<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)2(N[5]C[5]N[5]){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.0120	1.551	2	115.0120	2.407	2	115.0120	2.407	2	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:N[5]-3:	N[5](C[5]N[5,5]C)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]C)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){2|C<3>,2|H<1>,3|C<4>}	119.7820	0.925	3	119.7820	0.856	3	120.2288	1.661	15	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:N[5]-3:	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,4|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){2|C<3>,2|C<4>,3|H<1>}	121.0575	1.372	2	121.0575	1.884	2	120.2288	1.661	15	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:N[5]-3:	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)2	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)2{1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	120.6135	0.830	4	120.8183	0.525	6	120.2288	1.661	15	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:N[5]-3:	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)2	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)2{1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){2|C<3>,2|C<4>,3|H<1>}	121.2280	0.236	2	120.8183	0.525	6	120.2288	1.661	15	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:N[5]-3:	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){2|C<3>,2|C<4>,3|H<1>}	120.4250	0.427	2	120.4250	0.182	2	120.2288	1.661	15	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:N[5]-3:	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)2	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)2{1|Se<1>,1|N<3>,2|C<3>,2|F<1>}	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){1|Se<1>,2|C<3>,2|C<4>,2|H<1>}	119.4660	0.000	1	119.4660	0.000	1	120.2288	1.661	15	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:N[5]-3:	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5])	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,5]N[5,5]C[5])(N[5]C[6a]C[5]){1|Se<1>,2|C<3>,2|C<4>,2|H<1>}	116.7450	0.000	1	116.7450	0.000	1	120.2288	1.661	15	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	117.6910	0.000	1	117.6910	0.000	1	119.8435	3.651	8	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|H<1>,2|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.1250	0.000	1	121.1250	0.000	1	119.8435	3.651	8	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5,6]C[6,6a]N[5,6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]N[5,6])(N[5]C[6a]C[5]){1|C<4>,1|H<1>,4|C<3>}	119.0310	0.000	1	119.0310	0.000	1	119.8435	3.651	8	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,4|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.2780	0.000	1	122.2780	0.000	1	119.8435	3.651	8	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.4150	0.000	1	121.4150	0.000	1	119.8435	3.651	8	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]N[5,6]N)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]N)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	117.8865	0.189	2	117.8865	0.036	2	119.8435	3.651	8	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]N[5,6]Se)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]Se)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,4|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|Se<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4350	0.000	1	121.4350	0.000	1	119.8435	3.651	8	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5]N[5,6a]Rh)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]N[5,6a]Rh)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5]){1|Rh<6>,1|H<1>,4|C<3>}	118.3940	0.475	2	118.3940	0.226	2	118.3940	0.226	2	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	119.3020	0.000	1	118.4859	0.455	17	118.3688	0.862	33	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	117.6560	0.000	1	118.4859	0.455	17	118.3688	0.862	33	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	118.3370	0.000	1	118.4859	0.455	17	118.3688	0.862	33	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,5|C<3>}	118.8350	0.000	1	118.4859	0.455	17	118.3688	0.862	33	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|N<2>,1|O<1>,5|C<3>}	118.3402	0.310	4	118.4859	0.455	17	118.3688	0.862	33	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	118.5915	1.030	6	118.4859	0.455	17	118.3688	0.862	33	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|O<1>,6|C<3>}	118.4067	0.099	3	118.4859	0.455	17	118.3688	0.862	33	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,5|C<3>}	118.2180	0.140	2	118.2432	0.639	6	118.3688	0.862	33	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	117.8255	1.022	2	118.2432	0.639	6	118.3688	0.862	33	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5]){1|O<1>,6|C<3>}	118.6860	1.179	2	118.2432	0.639	6	118.3688	0.862	33	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Cu<4>,5|C<3>}	117.3238	1.588	4	118.2333	2.076	9	118.3688	0.862	33	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,5|C<3>}	119.2395	0.716	4	118.2333	2.076	9	118.3688	0.862	33	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,2|N<2>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){6|C<3>}	117.8470	0.000	1	118.2333	2.076	9	118.3688	0.862	33	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Mo<6>,2|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Mo<6>,5|C<3>}	118.3500	0.000	1	118.3500	0.000	1	118.3688	0.862	33	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C)	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C){1|N<2>,1|O<1>,3|C<3>}	118.4080	0.000	1	118.1692	0.362	5	118.3251	0.566	55	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C)	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	118.0210	0.801	3	118.1692	0.362	5	118.3251	0.566	55	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C)	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C){1|O<1>,2|C<3>,2|C<4>}	118.3750	0.000	1	118.1692	0.362	5	118.3251	0.566	55	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	118.0030	0.000	1	118.3495	0.269	27	118.3251	0.566	55	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,3|C<3>}	118.6890	0.000	1	118.3495	0.269	27	118.3251	0.566	55	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|O<1>,4|C<3>}	119.0340	0.000	1	118.3495	0.269	27	118.3251	0.566	55	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	118.2012	0.548	5	118.3495	0.269	27	118.3251	0.566	55	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|O<1>,2|C<3>,2|C<4>}	118.5457	0.488	12	118.3495	0.269	27	118.3251	0.566	55	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,3|C<3>}	118.0221	0.436	7	118.3495	0.269	27	118.3251	0.566	55	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,4|C<3>}	118.2917	0.885	3	118.2130	0.758	21	118.3251	0.566	55	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	118.1383	0.916	15	118.2130	0.758	21	118.3251	0.566	55	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|C<4>,1|O<1>,3|C<3>}	118.5080	0.857	3	118.2130	0.758	21	118.3251	0.566	55	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Ir<6>,1|H<1>,2|C<4>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Ir<6>,3|C<3>}	119.5615	1.867	2	119.5615	3.487	2	118.3251	0.566	55	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Co<4>,2|C<4>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])2{1|Co<4>,5|C<3>}	118.5835	0.957	4	118.1563	1.906	6	117.8357	1.699	15	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|I<1>,2|C<4>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])2{1|I<1>,5|C<3>}	118.8170	0.000	1	118.1563	1.906	6	117.8357	1.699	15	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ir<4>,2|C<4>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])2{1|Ir<4>,5|C<3>}	115.7870	0.000	1	118.1563	1.906	6	117.8357	1.699	15	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]B)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Mn<6>,1|B<4>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(N[5]C[5]B){1|Mn<6>,3|C<3>}	118.9580	0.795	3	118.9580	0.632	3	117.8357	1.699	15	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cu<2>,1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Cu<2>,3|C<3>}	117.2572	0.671	4	117.2572	0.450	4	117.8357	1.699	15	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){4|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(N[5]C[5]H){1|H<1>,3|C<3>}	117.2070	0.000	1	117.2070	0.000	1	117.8357	1.699	15	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|B<4>,2|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])2{1|B<4>,5|C<3>}	115.4870	0.000	1	115.4870	0.000	1	117.8357	1.699	15	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5,6]-3:N[5]-3:	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6]H)(N[5]N[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6]H)(N[5]N[5,6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|C<3>,2|C<4>,3|H<1>}	120.0865	0.054	2	120.0865	0.003	2	120.0865	0.003	2	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(N[5]C[5]Ir)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(N[5]N[5]){1|Ir<8>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Ir){1|H<1>,3|C<3>}	121.2730	0.000	1	121.2730	0.000	1	121.2730	0.000	1	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(N[5]C[5])	C[6a](C[6a]C[6a]Re)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(N[5]C[5]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Re)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Re<5>,5|C<3>}	125.0080	0.000	2	125.0080	0.000	2	125.4600	5.347	4	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Ru<5>,5|C<3>}	128.6710	0.000	1	125.9120	15.224	2	125.4600	5.347	4	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Ru<6>,5|C<3>}	123.1530	0.000	1	125.9120	15.224	2	125.4600	5.347	4	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	120.0590	0.181	2	120.0590	0.033	2	124.5712	8.338	8	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]C[5])	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Ir<8>,3|C<3>}	126.2833	0.503	3	126.2833	0.253	3	124.5712	8.338	8	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Ru<5>,3|C<3>}	126.0610	0.000	1	125.8673	1.635	3	124.5712	8.338	8	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Ru<6>,3|C<3>}	124.5030	0.000	1	125.8673	1.635	3	124.5712	8.338	8	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Ru<9>,3|C<3>}	127.0380	0.000	1	125.8673	1.635	3	124.5712	8.338	8	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[5a,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(N[5]C[5]Re)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Re){1|H<1>,3|C<3>}	120.6880	0.000	1	120.6880	0.000	1	124.7622	1.753	18	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ir<8>,3|C<3>}	124.7895	0.037	2	124.7895	0.001	2	124.7622	1.753	18	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,3|C<3>}	125.4614	1.081	5	125.1954	1.101	7	124.7622	1.753	18	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>}	124.5305	0.831	2	125.1954	1.101	7	124.7622	1.753	18	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<8>,3|C<3>}	126.0960	0.000	1	124.9178	0.862	5	124.7622	1.753	18	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<6>,1|C<4>,2|C<3>}	124.0035	0.086	2	124.9178	0.862	5	124.7622	1.753	18	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<8>,1|C<4>,2|C<3>}	125.2430	0.410	2	124.9178	0.862	5	124.7622	1.753	18	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<6>,3|C<3>}	123.7680	0.000	1	124.8317	0.851	3	124.7622	1.753	18	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,3|C<3>}	125.3635	0.070	2	124.8317	0.851	3	124.7622	1.753	18	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,1|F<1>,1|O<1>,4|C<3>}	121.2180	0.000	1	118.4502	0.845	16	118.3376	1.069	21	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,1|S<2>,4|C<3>}	118.4810	0.313	2	118.4502	0.845	16	118.3376	1.069	21	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,5|C<3>}	119.2990	0.000	1	118.4502	0.845	16	118.3376	1.069	21	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>}	118.2060	0.000	1	118.4502	0.845	16	118.3376	1.069	21	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	118.1403	0.587	6	118.4502	0.845	16	118.3376	1.069	21	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<1>,5|C<3>}	117.1020	0.000	1	118.4502	0.845	16	118.3376	1.069	21	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|H<1>,4|C<3>}	118.4600	0.000	1	118.4502	0.845	16	118.3376	1.069	21	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|H<1>,4|C<3>}	118.3717	0.010	3	118.4502	0.845	16	118.3376	1.069	21	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){6|C<3>}	116.3060	0.000	1	116.3060	0.000	1	118.3376	1.069	21	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,5|C<3>}	117.8630	0.000	1	117.8630	0.000	1	118.3376	1.069	21	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Re<5>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Re<5>,5|C<3>}	119.3880	0.000	2	119.3880	0.000	2	118.3376	1.069	21	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Tc)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]Tc)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Tc<5>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Tc<5>,5|C<3>}	116.9410	0.000	1	116.9410	0.000	1	118.3376	1.069	21	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	118.9665	0.091	2	118.9665	0.008	2	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	119.9450	0.000	1	119.9450	0.000	1	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|F<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)2{1|O<1>,2|F<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	119.6355	0.709	2	119.6355	0.503	2	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>}	118.5880	0.482	4	118.5880	0.233	4	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	117.6400	0.000	1	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,1|O<1>,1|O<2>,2|C<3>}	119.0250	0.000	1	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	118.3465	0.223	2	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	118.3700	0.403	2	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|N<3>,1|O<1>,3|C<3>}	117.5503	0.627	4	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,1|S<2>,2|C<3>}	121.9650	0.000	1	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	119.0090	0.000	1	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	118.7047	0.689	3	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	118.0730	0.000	1	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	118.9385	0.750	82	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	117.9930	0.473	4	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	118.4708	0.481	5	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|O<1>,1|S<2>,2|C<3>}	118.5080	0.000	1	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>}	118.3856	0.507	16	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|O<1>,3|C<3>}	118.1640	1.045	2	118.7441	0.651	126	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]N){1|O<1>,3|C<3>}	118.0200	0.000	1	118.0200	0.000	1	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N){4|C<3>}	116.8570	0.000	1	116.8570	0.000	1	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){2|C<3>,4|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	121.5565	0.712	2	121.5565	0.507	2	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|Co<6>,2|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Co<6>,1|H<1>,2|C<3>}	120.2830	0.000	1	120.5278	0.266	6	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|Hg<4>,2|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Hg<4>,1|H<1>,2|C<3>}	121.1460	0.000	1	120.5278	0.266	6	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|Mn<6>,2|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Mn<6>,1|H<1>,2|C<3>}	120.1650	0.000	1	120.5278	0.266	6	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|Ni<6>,2|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Ni<6>,1|H<1>,2|C<3>}	120.3760	0.000	1	120.5278	0.266	6	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|H<1>,3|C<3>}	120.5985	0.849	2	120.5278	0.266	6	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|H<1>,3|C<3>}	120.2630	0.522	3	120.2630	0.273	3	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|C<4>,1|N<3>,2|C<3>}	119.4560	0.000	1	119.9337	1.902	3	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|H<1>,1|N<3>,2|C<3>}	120.1725	1.860	2	119.9337	1.902	3	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Pd<4>,3|C<3>}	116.7730	0.000	1	116.7730	0.000	1	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[6]N[5])	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[6]N[5]){1|Pt<4>,5|C<3>}	119.2860	0.000	1	119.2860	0.000	1	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Rh<6>,1|C<4>,2|C<3>}	118.2422	1.321	8	118.2422	1.745	8	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Rh<4>,3|C<3>}	118.4140	0.000	1	118.3385	0.011	2	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Rh<6>,3|C<3>}	118.2630	0.000	1	118.3385	0.011	2	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){3|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Ru<9>,3|C<3>}	120.3910	0.000	1	120.3910	0.000	1	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]S[5]C)	N[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]){2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]S[5]C){3|C<3>}	116.4300	0.126	2	116.4300	0.016	2	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]S[5]S)	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]S[5]S){1|S<1>,2|C<3>}	114.9610	0.000	1	115.1705	0.088	2	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]S[5]S)	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]S[5]S){1|S<1>,2|C<3>}	115.3800	0.000	1	115.1705	0.088	2	118.7933	1.195	168	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]N[5]){2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|B<4>,5|C<3>}	114.9740	0.000	1	114.9740	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]){1|Cu<3>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|Br<1>,1|Cu<3>,4|C<3>}	119.8655	0.558	2	118.9493	2.674	3	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]){2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<2>,1|C<3>,1|N<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|Br<1>,4|C<3>}	117.1170	0.000	1	118.9493	2.674	3	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|C<4>,1|H<1>,4|C<3>}	117.9950	0.000	1	118.3464	2.287	7	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|Ir<4>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|Ir<4>,1|C<4>,4|C<3>}	118.2570	0.000	1	118.3464	2.287	7	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|Rh<4>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|Rh<4>,1|C<4>,4|C<3>}	119.9875	0.402	2	118.3464	2.287	7	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|Rh<6>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|Rh<6>,1|C<4>,4|C<3>}	118.2920	0.755	2	118.3464	2.287	7	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|C<4>,4|C<3>}	115.6140	0.000	1	118.3464	2.287	7	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<2>,1|H<1>,2|C<3>}	119.2330	0.000	1	119.2330	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C[6])	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|Ir<8>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C[6]){1|Ir<8>,1|C<4>,1|N<3>,3|C<3>}	117.4760	0.502	2	117.4760	0.252	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(N[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|Cl<1>,1|H<1>,4|C<3>}	120.2900	0.000	1	120.2900	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Co)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]Co)(N[5]N[5]){2|C<4>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|Co<4>,5|C<3>}	115.7698	1.062	4	115.7698	1.127	4	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Cu)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Cu)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Cu<2>,3|C<3>}	117.2780	0.636	4	117.2780	0.404	4	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Cu)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]Cu)(N[5]N[5]){1|Br<1>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<3>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|Br<1>,1|Cu<3>,4|C<3>}	117.1965	0.286	2	117.1965	0.082	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(N[5]C[5]Ru)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Ru){1|H<1>,3|C<3>}	120.6060	0.000	1	120.6060	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|H<1>,2|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	120.2690	0.000	1	118.9620	1.106	13	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<9>,2|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,1|H<1>,2|C<3>}	118.1230	0.315	2	118.9620	1.106	13	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|C<3>,4|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	118.9573	1.298	4	118.9620	1.106	13	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	119.0270	0.997	6	118.9620	1.106	13	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Ir)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ir<8>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Ir){1|H<1>,3|C<3>}	119.8200	1.435	3	119.8200	2.058	3	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Pd)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,2|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Pd){1|C<4>,1|H<1>,2|C<3>}	120.0120	1.154	4	120.0120	1.333	4	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Re)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Re<6>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Re){1|H<1>,3|C<3>}	119.7920	0.000	1	119.7920	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Ru)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<6>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Ru){1|H<1>,3|C<3>}	117.2265	0.680	2	119.0416	2.852	9	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Ru)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<9>,2|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Ru){1|C<4>,1|H<1>,2|C<3>}	121.2035	0.139	2	119.0416	2.852	9	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Ru)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<9>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Ru){1|H<1>,3|C<3>}	118.9028	1.255	5	119.0416	2.852	9	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])2{1|Cl<1>,1|H<1>,4|C<3>}	118.5310	0.000	1	118.7570	1.128	3	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<5>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])2{1|Ru<5>,1|H<1>,4|C<3>}	119.9140	0.000	1	118.7570	1.128	3	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])2{1|C<4>,1|H<1>,4|C<3>}	117.8260	0.000	1	118.7570	1.128	3	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	118.2180	0.000	1	118.2180	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](N[5]C[6a]C[5])(N[5]C[5]Mo)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Mo<6>,1|H<1>,1|P<3>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Mo){1|H<1>,3|C<3>}	117.1190	0.000	1	117.1190	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5](N[5]C[6a]C[5])(N[5]C[5]Cu)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cu<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Cu){1|H<1>,3|C<3>}	119.8250	0.000	1	119.8250	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,1|N<2>,2|C<3>}	118.4720	0.000	1	119.0983	0.858	7	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,1|N<3>,2|C<3>}	118.0300	0.000	1	119.0983	0.858	7	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	119.1457	0.524	3	119.0983	0.858	7	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	119.8745	1.361	2	119.0983	0.858	7	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Co)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Co<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Co){1|C<4>,1|H<1>,2|C<3>}	119.6837	0.482	3	119.6837	0.232	3	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Cu)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Cu){1|H<1>,3|C<3>}	118.9560	0.000	1	119.3515	0.375	4	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Cu)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cu<6>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Cu){1|H<1>,3|C<3>}	119.4833	0.677	3	119.3515	0.375	4	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Fe)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Fe<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Fe){1|C<4>,1|H<1>,2|C<3>}	119.2880	0.000	1	119.2880	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Ir)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Ir){1|H<1>,3|C<3>}	119.6290	0.000	1	119.5885	0.003	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Ir)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ir<8>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Ir){1|C<4>,1|H<1>,2|C<3>}	119.5480	0.000	1	119.5885	0.003	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Mn)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Mn<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Mn){1|C<4>,1|H<1>,2|C<3>}	118.1995	0.049	2	118.1995	0.002	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Mo)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Mo<6>,1|P<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Mo){1|H<1>,1|P<4>,2|C<3>}	119.8457	1.054	3	119.8457	1.112	3	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Pd)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Pd){1|C<4>,1|H<1>,2|C<3>}	120.6665	0.029	2	119.9262	1.421	6	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Pd)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Pd){1|H<1>,3|C<3>}	120.0210	1.197	3	119.9262	1.421	6	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Pd)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Pd){1|H<1>,3|C<3>}	118.1610	0.000	1	119.9262	1.421	6	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Pt)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Pt){1|H<1>,3|C<3>}	119.3110	1.124	3	119.8605	2.051	4	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Pt)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pt<6>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Pt){1|H<1>,3|C<3>}	121.5090	0.000	1	119.8605	2.051	4	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Re)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Re<6>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Re){1|H<1>,3|C<3>}	118.9310	0.000	1	118.9310	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Rh)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Rh){1|C<4>,1|H<1>,2|C<3>}	118.3650	0.000	1	118.3650	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Zn)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Zn<5>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Zn){1|H<1>,3|C<3>}	118.8015	0.650	2	118.9440	0.326	4	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]Zn)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Zn<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]Zn){1|C<4>,1|H<1>,2|C<3>}	119.0865	0.689	2	118.9440	0.326	4	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]O)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,2|O<2>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]O)2{1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	120.6470	0.000	1	120.6470	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|I<1>,3|C<3>}	118.4265	0.433	2	118.4265	0.188	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5]){1|I<1>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{2|I<1>,4|C<3>}	119.1218	1.324	8	119.1207	1.534	9	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5]){2|C<4>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|I<1>,5|C<3>}	119.1120	0.000	1	119.1207	1.534	9	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ir<8>,3|C<3>}	114.5575	0.627	2	114.5575	0.393	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){2|C<4>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ir<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|Ir<4>,5|C<3>}	117.6690	0.000	1	117.9485	0.156	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ir<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|Ir<4>,1|C<4>,4|C<3>}	118.2280	0.000	1	117.9485	0.156	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ir<8>,3|C<3>}	116.8090	0.102	2	116.8090	0.010	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Mn)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Mn)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mn<5>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Mn<5>,3|C<3>}	116.9280	0.000	1	116.9280	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Mo)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Mo)(N[5]N[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mo<5>,1|N<3>,2|C<3>,2|C<4>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Mo<5>,3|C<3>}	118.6820	0.000	1	118.6820	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ni<4>,3|C<3>}	118.1413	0.754	3	118.3930	0.405	6	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,1|N<3>,2|C<3>,2|C<4>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ni<4>,1|C<4>,2|C<3>}	119.1530	0.000	1	118.3930	0.405	6	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ni<4>,1|C<4>,2|C<3>}	118.3905	0.350	2	118.3930	0.405	6	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<7>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ni<7>,3|C<3>}	116.9090	0.000	1	117.7525	1.423	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<7>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ni<7>,1|C<4>,2|C<3>}	118.5960	0.000	1	117.7525	1.423	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]W)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]){1|W<6>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|P<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]W){1|P<3>,3|C<3>}	116.2930	0.000	1	116.2930	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|C<2>,2|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,1|C<2>,2|C<3>}	115.7000	0.000	1	115.6504	1.065	5	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){2|C<3>,4|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>}	115.1100	0.675	3	115.6504	1.065	5	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){2|C<3>,4|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Pd<5>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<5>,1|C<4>,2|C<3>}	117.2220	0.000	1	115.6504	1.065	5	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,3|C<3>}	116.2083	1.007	6	116.3819	1.514	9	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>}	116.7290	1.802	3	116.3819	1.514	9	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Re)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Re)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Re<6>,3|C<3>}	117.5360	0.000	1	117.5360	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){2|C<3>,4|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Rh<7>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<7>,1|C<4>,2|C<3>}	115.1480	0.000	1	115.1415	0.000	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<6>,3|C<3>}	115.1350	0.000	1	115.1415	0.000	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Rh<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|Rh<4>,1|C<4>,4|C<3>}	116.4260	0.468	2	116.6103	0.147	4	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|Rh<6>,1|C<4>,4|C<3>}	116.7945	0.293	2	116.6103	0.147	4	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<6>,3|C<3>}	116.2280	0.000	1	114.8090	0.814	5	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<6>,1|C<4>,2|C<3>}	114.0490	0.023	2	114.8090	0.814	5	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<8>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<8>,1|C<4>,2|C<3>}	114.8595	0.286	2	114.8090	0.814	5	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,3|C<3>}	114.6558	2.723	5	114.6558	7.415	5	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ru<5>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])2{1|Ru<5>,1|H<1>,4|C<3>}	114.5980	0.000	1	114.5980	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,3|C<3>}	117.8060	0.915	2	117.8060	0.837	2	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|S<1>,3|C<3>}	119.0680	0.000	1	118.8027	0.119	3	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|S<2>,3|C<3>}	118.6700	0.365	2	118.8027	0.119	3	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Se<1>,3|C<3>}	117.9590	0.000	1	118.0460	0.329	3	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Se<2>,3|C<3>}	118.0895	0.804	2	118.0460	0.329	3	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]N[5]O)	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]N[5]O){1|Cl<1>,2|C<3>}	120.0580	0.000	1	120.0580	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]N[5]C){1|S<2>,2|C<3>}	120.9250	0.000	1	120.9250	0.000	1	118.1411	3.569	171	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Ir<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|Ir<4>,1|C<4>,4|C<3>}	123.0790	0.000	1	121.7240	10.269	5	124.8985	13.677	11	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Mo<9>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|Mo<9>,1|C<4>,4|C<3>}	123.1320	0.000	1	121.7240	10.269	5	124.8985	13.677	11	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	115.9940	0.000	1	121.7240	10.269	5	124.8985	13.677	11	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|Pd<4>,1|C<4>,4|C<3>}	123.2075	0.156	2	121.7240	10.269	5	124.8985	13.677	11	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5])	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]N[5]2)	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]N[5]2){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	127.5438	0.814	6	127.5438	0.663	6	124.8985	13.677	11	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:P[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(N[5]C[5])	C[6a](N[5]N[5]P[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]P[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]N[5]P[5])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]P[5])(C[5]N[5]C){1|Br<1>,3|C<3>}	118.0605	0.299	2	118.0605	0.089	2	118.0605	0.089	2	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Al<4>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Al<4>,1|H<1>,4|C<3>}	120.5680	0.000	1	120.6675	0.154	15	120.2271	1.091	38	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Al<5>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Al<5>,1|H<1>,4|C<3>}	120.6746	0.406	14	120.6675	0.154	15	120.2271	1.091	38	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](N[5]C[5,6a]Co)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Co)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Co<6>,1|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Co<6>,1|H<1>,4|C<3>}	120.0312	0.779	6	120.0312	0.607	6	120.2271	1.091	38	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Ni<6>,1|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Ni<6>,1|H<1>,4|C<3>}	118.5965	0.943	2	119.3819	1.469	9	120.2271	1.091	38	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Ni<6>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Ni<6>,1|H<1>,4|C<3>}	119.6063	1.243	7	119.3819	1.469	9	120.2271	1.091	38	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]N[5]2){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|H<1>,1|O<1>,4|C<3>}	123.4550	0.000	1	123.4550	0.000	1	120.2271	1.091	38	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|O<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|H<1>,1|O<1>,4|C<3>}	120.6460	0.000	1	120.6460	0.000	1	120.2271	1.091	38	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Pd<4>,1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Pd<4>,1|H<1>,4|C<3>}	121.0550	0.000	1	121.0550	0.000	1	120.2271	1.091	38	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Re<6>,1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Re<6>,1|H<1>,4|C<3>}	119.3433	0.213	3	119.3433	0.045	3	120.2271	1.091	38	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Zn<6>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Zn<6>,1|H<1>,4|C<3>}	120.4025	0.274	2	120.4025	0.075	2	120.2271	1.091	38	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]N[5]){5|C<3>}	123.3824	0.858	27	123.3824	0.736	27	123.3824	0.736	27	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[5]N[5]O)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]N[5])(C[5]N[5]O){3|C<3>}	123.5054	1.243	8	123.5054	1.545	8	123.6158	1.070	13	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[5]N[5]S)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	N[5](N[5]C[6a]N[5])(C[5]N[5]S){3|C<3>}	122.8280	0.000	1	123.7926	0.443	5	123.6158	1.070	13	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[5]N[5]S)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]N[5])(C[5]N[5]S){3|C<3>}	124.0337	0.451	4	123.7926	0.443	5	123.6158	1.070	13	119.2959	6.298	624	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:2:2:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:N[6a]-2:N[6a]-2:	N[5]-3:C[5]-3:	N[5](C[6a]N[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]N[6a]2)(C[5]C[5]CC)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,4|C<4>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){2|C<4>,2|H<1>,2|N<2>}	119.0935	1.008	2	119.0935	1.015	2	119.0935	1.015	2	119.0935	1.015	2	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:2:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:N[5]-3:N[6a]-2:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	N[5](N[5]C[6a]C[5])(C[5]C[5]Br)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]){1|Br<1>,1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]Br){1|N<2>,2|C<3>,3|H<1>}	122.8410	0.000	1	122.8410	0.000	1	122.8410	0.000	1	122.8410	0.000	1	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-2:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(N[5]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	120.5490	0.000	1	119.8650	0.727	3	119.8650	0.727	3	119.8650	0.727	3	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-2:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(N[5]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	119.5230	0.867	2	119.8650	0.727	3	119.8650	0.727	3	119.8650	0.727	3	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]N[5]C){2|C<4>,3|C<3>}	113.7910	0.000	1	113.7910	0.000	1	113.7910	0.000	1	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	120.1650	0.000	1	120.1650	0.000	1	119.4947	1.816	8	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){1|P<4>,3|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|P<4>,2|H<1>,5|C<3>}	119.5860	0.000	1	119.8307	0.874	6	119.4947	1.816	8	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|H<1>,3|C<4>,4|C<3>}	119.1330	1.020	2	119.8307	0.874	6	119.4947	1.816	8	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	119.5410	0.000	1	119.8307	0.874	6	119.4947	1.816	8	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){2|H<1>,6|C<3>}	120.7955	0.593	2	119.8307	0.874	6	119.4947	1.816	8	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<2>,2|C<4>,5|C<3>}	116.8090	0.000	1	116.8090	0.000	1	119.4947	1.816	8	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]2){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	115.6958	2.304	5	115.6958	5.307	5	118.9079	4.532	28	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	117.6065	0.484	2	117.6065	0.235	2	118.9079	4.532	28	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,2|C<3>,3|H<1>}	119.8935	0.064	2	119.8935	0.004	2	118.9079	4.532	28	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){3|C<3>,3|H<1>}	120.4203	0.724	3	120.2835	0.425	4	118.9079	4.532	28	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	119.8730	0.000	1	120.2835	0.425	4	118.9079	4.532	28	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){2|C<3>,4|H<1>}	120.9480	0.391	6	120.9480	0.153	6	118.9079	4.532	28	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]OV)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]OV)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|V<8>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<2>,1|V<8>,3|C<3>}	119.6080	0.000	1	119.6080	0.000	1	118.9079	4.532	28	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]N[5]C){2|C<4>,3|C<3>}	119.3107	0.353	3	118.6890	1.219	8	118.9079	4.532	28	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]N[5]C){1|C<4>,4|C<3>}	120.0810	0.000	1	118.6890	1.219	8	118.9079	4.532	28	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]C){2|C<4>,3|C<3>}	117.8748	0.920	4	118.6890	1.219	8	118.9079	4.532	28	118.8965	4.556	37	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:2:2:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[6a]-2:N[6a]-2:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){2|N<2>,3|C<3>,3|H<1>}	120.8820	0.232	2	121.0860	0.152	3	121.0860	0.152	3	121.3615	0.405	4	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:2:2:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[6a]-2:N[6a]-2:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){2|N<2>,3|C<3>,3|H<1>}	121.4940	0.000	1	121.0860	0.152	3	121.0860	0.152	3	121.3615	0.405	4	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:2:2:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[6a]-2:N[6a]-2:	N[5]-3:C[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|H<1>,2|C<4>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<3>,2|N<2>,3|H<1>}	122.1880	0.000	1	122.1880	0.000	1	122.1880	0.000	1	121.3615	0.405	4	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(N[5]C[5])	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]N[5]){4|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](N[5]C[6a]C[5])(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	B[5,5a]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](B[5,5a]C[5,6a]O[5a]2)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](N[5]B[5,5a]N[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5a]C[6a])	N[5](B[5,5a]C[5,6a]O[5a]2)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	C[6a](N[5]B[5,5a]N[5])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5a]C[6a]){1|H<1>,2|O<2>,4|C<3>}	117.4710	0.573	2	117.4710	0.328	2	117.4710	0.328	2	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	B[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](B[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])	N[5](B[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,8|C<3>}	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5]){1|H<1>,6|C<3>}	117.4970	0.000	1	117.4970	0.000	1	117.4970	0.000	1	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5,6]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)	N[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,3|C<4>,4|H<1>}	C[6a](N[5]C[5,5,6]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](N[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C){2|C<3>,2|C<4>,2|H<1>}	120.9740	0.000	1	120.9740	0.000	1	120.9740	0.000	1	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]C[6a])	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]C[6a]){2|H<1>,6|C<3>}	118.4745	1.303	2	118.7663	1.105	3	118.7663	1.105	3	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]C[6a])	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,3|H<1>,4|C<4>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]C[6a]){1|H<1>,3|C<4>,4|C<3>}	119.3500	0.000	1	118.7663	1.105	3	118.7663	1.105	3	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C){2|H<1>,4|C<3>}	117.2460	0.000	1	117.2460	0.000	1	117.2735	3.649	16	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[5]C){1|H<1>,5|C<3>}	120.1020	0.000	1	120.1020	0.000	1	117.2735	3.649	16	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	116.0450	1.920	3	116.0450	3.685	3	117.2735	3.649	16	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5])	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|S<2>,2|H<1>,6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5]){7|C<3>}	119.4660	0.000	1	119.4862	0.193	4	117.2735	3.649	16	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5])	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|S<2>,3|H<1>,6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5]){1|C<4>,6|C<3>}	119.8800	0.000	1	119.4862	0.193	4	117.2735	3.649	16	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5])	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|H<1>,7|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5]){7|C<3>}	119.7200	0.000	1	119.4862	0.193	4	117.2735	3.649	16	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5])	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,3|H<1>,7|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5]){1|C<4>,6|C<3>}	118.8790	0.000	1	119.4862	0.193	4	117.2735	3.649	16	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[5]Br)	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[5]Br){1|H<1>,5|C<3>}	115.6360	0.000	1	115.6360	0.000	1	117.2735	3.649	16	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[5]C)	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	116.1550	0.000	1	116.1550	0.000	1	117.2735	3.649	16	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5])	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<2>,1|N<3>,4|H<1>,5|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	114.2540	0.000	1	115.4275	2.754	2	117.2735	3.649	16	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5])	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	116.6010	0.000	1	115.4275	2.754	2	117.2735	3.649	16	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]S[5])	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,2|H<1>,5|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|S<2>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]S[5]){1|N<3>,1|S<2>,4|C<3>}	116.9450	0.460	2	116.7673	0.200	3	117.2735	3.649	16	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]S[5])	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|S<2>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]S[5]){1|N<3>,1|S<2>,4|C<3>}	116.4120	0.000	1	116.7673	0.200	3	117.2735	3.649	16	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C[6a])	N[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C[6a]){1|H<1>,2|C<4>,5|C<3>}	118.4460	0.000	1	118.4460	0.000	1	118.4460	0.000	1	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]C[5]Br)	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[5,6]C[6a])(C[5]C[5]Br){1|H<1>,5|C<3>}	120.6400	0.000	1	120.6400	0.000	1	117.3233	7.716	6	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	113.0730	0.000	1	116.1640	19.109	2	117.3233	7.716	6	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){5|H<1>,6|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	119.2550	0.000	1	116.1640	19.109	2	117.3233	7.716	6	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,6]C[5]C[6]N[6])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	N[5](C[5,6]C[5]C[6]N[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){1|H<1>,1|N<3>,6|C<3>}	115.3170	0.000	1	115.3170	0.000	1	117.3233	7.716	6	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,6]C[5a,6]N[6]S[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]S[5])	N[5](C[5,6]C[5a,6]N[6]S[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]S[5]){1|N<3>,5|C<3>}	117.0370	0.000	1	117.0370	0.000	1	117.3233	7.716	6	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,6]C[6,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	N[5](C[5,6]C[6,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,7|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	118.6180	0.000	1	118.6180	0.000	1	117.3233	7.716	6	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|C<3>,3|H<1>,4|C<4>}	114.0490	0.156	2	114.0490	0.024	2	116.2280	14.256	3	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	120.5860	0.000	1	120.5860	0.000	1	116.2280	14.256	3	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|N<3>,2|C<4>,5|C<3>}	118.5910	0.000	1	118.5910	0.000	1	119.5007	2.782	41	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	121.3140	0.000	1	120.3733	1.824	3	119.5007	2.782	41	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	119.9030	1.523	2	120.3733	1.824	3	119.5007	2.782	41	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,7|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){2|H<1>,6|C<3>}	117.5810	0.000	1	117.5810	0.000	1	119.5007	2.782	41	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	120.8600	0.000	1	119.7888	1.549	34	119.5007	2.782	41	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){2|H<1>,6|C<3>}	119.5480	0.000	1	119.7888	1.549	34	119.5007	2.782	41	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|N<2>,3|H<1>,4|C<3>}	120.8120	0.000	1	119.7888	1.549	34	119.5007	2.782	41	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	119.7290	1.275	31	119.7888	1.549	34	119.5007	2.782	41	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|C<4>,6|C<3>}	114.7075	0.975	2	114.7075	0.951	2	119.5007	2.782	41	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5]CeO)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]CeO)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|P<5>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ce<13>,1|O<2>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Ce<13>,1|O<2>,1|P<5>,2|C<3>}	118.6847	0.134	3	118.9652	0.327	4	118.9890	0.654	17	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5]CeO)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]CeO)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|P<5>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ce<16>,1|O<2>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Ce<16>,1|O<2>,1|P<5>,2|C<3>}	119.8070	0.000	1	118.9652	0.327	4	118.9890	0.654	17	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5]GdO)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]GdO)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Gd<14>,1|O<2>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Gd<14>,1|C<4>,1|O<2>,2|C<3>}	118.4390	0.165	2	118.4390	0.027	2	118.9890	0.654	17	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5]TbO)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]TbO)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Tb<14>,1|O<2>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Tb<14>,1|C<4>,1|O<2>,2|C<3>}	118.4090	0.491	2	118.4090	0.241	2	118.9890	0.654	17	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5]TmO)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]TmO)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Tm<14>,1|O<2>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Tm<14>,1|C<4>,1|O<2>,2|C<3>}	118.6075	0.268	2	118.6075	0.072	2	118.9890	0.654	17	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){3|C<3>,3|H<1>}	118.8040	0.000	1	119.6845	1.551	2	118.9890	0.654	17	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){3|C<3>,3|H<1>}	120.5650	0.000	1	119.6845	1.551	2	118.9890	0.654	17	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){3|C<3>,3|H<1>}	120.3490	0.000	1	120.2175	0.035	2	118.9890	0.654	17	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){3|C<3>,3|H<1>}	120.0860	0.000	1	120.2175	0.035	2	118.9890	0.654	17	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|C<3>,5|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]H){3|C<3>,3|H<1>}	119.7530	0.000	1	119.7530	0.000	1	118.9890	0.654	17	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]N[5]C){1|C<4>,4|C<3>}	118.2420	0.543	2	118.2420	0.295	2	118.9890	0.654	17	118.6758	3.841	91	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	5:3:2:	3:3:3:	3:3:	C[5]-5:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5]Gd2O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]Gd2O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|Gd<14>,1|O<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){2|Gd<14>,1|C<4>,1|O<3>,2|C<3>}	119.3450	0.000	1	119.3450	0.000	1	119.5127	0.103	3	119.5127	0.103	3	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	5:3:2:	3:3:3:	3:3:	C[5]-5:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5]Tb2O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]Tb2O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|Tb<14>,1|O<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){2|Tb<14>,1|C<4>,1|O<3>,2|C<3>}	119.8820	0.000	1	119.8820	0.000	1	119.5127	0.103	3	119.5127	0.103	3	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP2_SP2_SP2	N[5]	C[6a]	N[5]	5:3:2:	3:3:3:	3:3:	C[5]-5:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5]Tm2O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	N[5](C[5]C[5]Tm2O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|Tm<14>,1|O<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C){2|Tm<14>,1|C<4>,1|O<3>,2|C<3>}	119.3110	0.000	1	119.3110	0.000	1	119.5127	0.103	3	119.5127	0.103	3	119.1778	5.848	808	119.1778	5.848	808
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]N[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]Br)2(N[5]C[5]N[5])	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]N[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5,6]){2|Br<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(N[5]C[5]N[5]){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.9740	0.000	1	114.9740	0.000	1	114.9740	0.000	1	116.6630	5.705	2	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	116.6630	5.705	2	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	2:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[6a]-2:N[5]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]O)(N[5]C[5])	C[6a](N[6a]C[6a,6a])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]O)(N[5]C[5]){3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	119.5200	0.000	1	119.5200	0.000	1	119.5200	0.000	1	119.5200	0.000	1	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:2:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:N[5]-3:N[6a]-2:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	N[5](N[5]C[6a]C[5])(C[5]C[5]Br)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]){1|Br<1>,1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]Br){1|N<2>,2|C<3>,3|H<1>}	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|H<1>,2|C<4>,5|C<3>}	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	114.8037	6.100	3	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]2){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	114.4235	3.367	2	114.4235	11.334	2	114.4235	11.334	2	114.8037	6.100	3	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[5a]C[5])	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[5a]C[5]){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	115.1010	0.000	1	115.1010	0.000	1	115.9357	2.717	9	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5])	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|S<1>,3|H<1>,6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5]){1|C<4>,6|C<3>}	116.7765	1.481	2	116.7765	2.195	2	115.9357	2.717	9	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]N[5]C)	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,5|C<3>,5|H<1>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](N[5]C[5,5]C[6a])(C[5]N[5]C){2|C<4>,3|C<3>}	114.8440	3.063	2	114.8440	9.383	2	115.9357	2.717	9	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[5]Br)	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[5]Br){1|H<1>,5|C<3>}	115.6430	0.000	1	115.3185	0.211	2	115.9357	2.717	9	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[5]Br)	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[5]Br){1|H<1>,5|C<3>}	114.9940	0.000	1	115.3185	0.211	2	115.9357	2.717	9	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5])	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	118.0530	0.000	1	117.2210	1.384	2	115.9357	2.717	9	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5])	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	116.3890	0.000	1	117.2210	1.384	2	115.9357	2.717	9	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]C[5]Br)	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[5,6]C[6a])(C[5]C[5]Br){1|H<1>,5|C<3>}	116.4150	0.000	1	116.4150	0.000	1	115.6737	0.424	4	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	115.2495	0.593	2	115.2495	0.352	2	115.6737	0.424	4	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	115.7810	0.000	1	115.7810	0.000	1	115.6737	0.424	4	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|C<3>,3|H<1>,4|C<4>}	114.2095	0.278	2	114.2095	0.077	2	114.7877	1.041	3	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|C<4>,2|H<1>,4|C<3>}	115.9440	0.000	1	115.9440	0.000	1	114.7877	1.041	3	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|S<2>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	115.4630	0.000	1	115.4630	0.000	1	117.9776	3.246	8	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	118.3369	1.607	7	118.3369	2.583	7	117.9776	3.246	8	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	960	0:SP3_SP2_SP2	N[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[5]C[5,6]H)	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5]){3|H<1>,6|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5,6]H){1|H<1>,5|C<3>}	118.0120	0.000	1	118.0120	0.000	1	118.0120	0.000	1	116.4925	3.415	25	116.5313	4.073	32	116.5313	4.073	32
542	643	976	0:SP2_SP2_SP2	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5]){1|Pd<4>,1|C<4>,2|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	O[5](N[5]C[6a]C[5])(C[5]N[5]C){1|Pd<4>,4|C<3>}	106.7350	0.000	1	107.1130	0.286	2	107.4903	0.570	3	107.4903	0.570	3	107.4903	0.570	3	107.4903	0.570	3
542	643	976	0:SP2_SP2_SP2	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5]){1|Pt<4>,1|C<4>,2|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	O[5](N[5]C[6a]C[5])(C[5]N[5]C){1|Pt<4>,4|C<3>}	107.4910	0.000	1	107.1130	0.286	2	107.4903	0.570	3	107.4903	0.570	3	107.4903	0.570	3	107.4903	0.570	3
542	643	976	0:SP2_SP2_SP2	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5]){1|Pt<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	O[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Pt<4>,4|C<3>}	108.2450	0.000	1	108.2450	0.000	1	107.4903	0.570	3	107.4903	0.570	3	107.4903	0.570	3	107.4903	0.570	3
542	643	976	0:SP2_SP2_SP3	N[5,6]	C[6,6a]	O[5]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,5]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5]C[5,5])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]O[5])(C[6a]C[6a]H)	O[5](N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5]C[5,5]){1|Br<1>,1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]O[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	O[5](N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	105.0370	0.000	1	105.0370	0.000	1	105.0370	0.000	1	105.0370	0.000	1	105.0370	0.000	1	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){3|H<1>,4|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){1|C<4>,1|H<1>,3|C<3>}	112.5630	0.000	1	112.5630	0.000	1	112.5630	0.000	1	112.5630	0.000	1	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[4,5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[4,5]C[4]2C[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[4,5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[4,5]C[4]2C[5])(N[5]C[6a]C[5]){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	110.7260	0.000	1	110.7260	0.000	1	110.7260	0.000	1	109.2724	4.141	5	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,5]){1|O<2>,3|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[6a]C[5]){3|H<1>,6|C<3>}	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	109.2724	4.141	5	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5]N[5]C)(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|C<4>}	O[5](C[5]C[5]N[5]C)(N[5]C[6a]C[5]){2|C<4>,2|H<1>,4|C<3>}	107.1080	0.000	1	107.1080	0.000	1	108.4103	5.468	3	109.2724	4.141	5	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|N<3>,2|C<4>,4|C<3>}	107.0130	0.000	1	107.0130	0.000	1	108.4103	5.468	3	109.2724	4.141	5	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	111.1100	0.000	1	111.1100	0.000	1	108.4103	5.468	3	109.2724	4.141	5	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:2:3:	3:3:3:	4:3:	C[5]-4:O[5]-2:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:	N[5](C[5]C[5,5,6]C[6a]H)(O[5]C[5,5,6])(C[6a]C[6a]2)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])	N[5](C[5]C[5,5,6]C[6a]H)(O[5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	106.5070	0.000	1	106.5070	0.000	1	106.5070	0.000	1	106.5070	0.000	1	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5,5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,5|C<3>,5|H<1>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC){1|C<4>,2|H<1>,3|C<3>}	111.0230	0.000	1	111.0230	0.000	1	109.6990	7.833	3	109.1939	4.505	7	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5,5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,5|C<3>,5|H<1>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH){1|C<4>,2|H<1>,3|C<3>}	106.4840	0.000	1	106.4840	0.000	1	109.6990	7.833	3	109.1939	4.505	7	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5,5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	111.5900	0.000	1	111.5900	0.000	1	109.6990	7.833	3	109.1939	4.505	7	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	109.0740	0.000	1	109.0740	0.000	1	108.8150	3.343	4	109.1939	4.505	7	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]HH)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]HH){1|H<1>,4|C<3>}	111.2940	0.000	1	111.2940	0.000	1	108.8150	3.343	4	109.1939	4.505	7	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]HO)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,4|C<3>,5|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]HO){3|C<3>,3|H<1>}	107.2630	0.000	1	107.2630	0.000	1	108.8150	3.343	4	109.1939	4.505	7	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]HS)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|S<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]HS){1|S<4>,2|H<1>,3|C<3>}	107.6290	0.000	1	107.6290	0.000	1	108.8150	3.343	4	109.1939	4.505	7	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C[6a])	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|N<3>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	110.8740	0.000	1	110.8740	0.000	1	110.8740	0.000	1	109.8842	2.974	11	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[5,5]C[5,5a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C[6a])	N[5](C[5,5]C[5,5a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C[6a]){1|C<4>,1|H<1>,6|C<3>}	111.7100	0.000	1	111.7100	0.000	1	111.7100	0.000	1	109.8842	2.974	11	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a]){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	107.2750	0.641	2	109.2172	5.226	4	109.2172	5.226	4	109.8842	2.974	11	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a]){1|C<4>,1|H<1>,6|C<3>}	111.1595	0.421	2	109.2172	5.226	4	109.2172	5.226	4	109.8842	2.974	11	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5]){3|C<4>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5]){3|C<3>,3|C<4>,3|H<1>}	111.8010	0.000	1	111.8010	0.000	1	110.0430	6.181	2	109.8842	2.974	11	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|O<2>,4|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[6a]C[5]){3|H<1>,6|C<3>}	108.2850	0.000	1	108.2850	0.000	1	110.0430	6.181	2	109.8842	2.974	11	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|C<4>,4|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5]){1|C<4>,4|C<3>,4|H<1>}	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	109.8842	2.974	11	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]C[5])	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	108.8490	0.000	1	108.8490	0.000	1	109.2570	0.333	2	109.8842	2.974	11	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP2_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[4]C[5]H)(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[4]C[5]H)(N[5]C[6a]C[5]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	109.6650	0.000	1	109.6650	0.000	1	109.2570	0.333	2	109.8842	2.974	11	109.5406	3.924	25	109.3674	4.547	26
542	643	976	0:SP3_SP2_SP2	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,8|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,6|C<3>}	106.9940	0.000	1	106.9940	0.000	1	106.9940	0.000	1	107.8975	1.633	2	107.8975	1.633	2	107.8975	1.633	2
542	643	976	0:SP3_SP2_SP2	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]N[5]O)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]N[5]O){1|H<1>,4|C<3>}	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	107.8975	1.633	2	107.8975	1.633	2	107.8975	1.633	2
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5]){4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.9860	0.885	2	111.9860	0.784	2	111.9860	0.784	2	111.9860	0.784	2	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	112.9200	0.000	1	112.4195	0.501	2	112.4195	0.501	2	112.4195	0.501	2	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	111.9190	0.000	1	112.4195	0.501	2	112.4195	0.501	2	112.4195	0.501	2	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,6])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,6]){1|N<3>,3|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[6a]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	106.8160	0.000	1	106.8160	0.000	1	106.8160	0.000	1	110.1014	6.856	5	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	112.0480	0.000	1	112.0480	0.000	1	110.9228	4.643	4	110.1014	6.856	5	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	111.7630	0.000	1	111.9710	0.087	2	110.9228	4.643	4	110.1014	6.856	5	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){2|H<1>,6|C<3>}	112.1790	0.000	1	111.9710	0.087	2	110.9228	4.643	4	110.1014	6.856	5	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){4|C<3>,4|H<1>}	107.7010	0.000	1	107.7010	0.000	1	110.9228	4.643	4	110.1014	6.856	5	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5,5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	109.2110	0.000	1	109.2110	0.000	1	108.6550	1.987	3	108.8950	2.056	13	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5,5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[5,5]C[6a])(C[5]C[5]CH)	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,8|H<1>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|C<4>}	O[5](N[5]C[5,5]C[6a])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>}	107.0520	0.000	1	108.3770	3.511	2	108.6550	1.987	3	108.8950	2.056	13	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5,5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[5,5]C[6a])(C[5]C[5]CH)	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<2>,5|C<3>,7|H<1>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|C<4>}	O[5](N[5]C[5,5]C[6a])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>}	109.7020	0.000	1	108.3770	3.511	2	108.6550	1.987	3	108.8950	2.056	13	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){3|H<1>,7|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5,5]CH){1|H<1>,5|C<3>}	110.1920	0.000	1	110.1920	0.000	1	108.9670	2.275	10	108.8950	2.056	13	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]HO)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,4|C<3>,5|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]HO){3|C<3>,3|H<1>}	106.5900	0.000	1	106.5900	0.000	1	108.9670	2.275	10	108.8950	2.056	13	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){3|C<3>,3|H<1>}	108.8560	0.000	1	108.8560	0.000	1	108.9670	2.275	10	108.8950	2.056	13	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	109.7120	0.000	1	109.1073	0.283	3	108.9670	2.275	10	108.8950	2.056	13	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	108.7090	0.000	1	109.1073	0.283	3	108.9670	2.275	10	108.8950	2.056	13	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	108.9010	0.000	1	109.1073	0.283	3	108.9670	2.275	10	108.8950	2.056	13	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]HH)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){5|C<3>,5|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	112.1820	0.000	1	112.1820	0.000	1	108.9670	2.275	10	108.8950	2.056	13	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]HO)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,4|C<3>,5|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]HO){3|C<3>,3|H<1>}	108.7320	0.000	1	108.7320	0.000	1	108.9670	2.275	10	108.8950	2.056	13	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]HP)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|P<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](N[5]C[6a]C[5])(C[5]C[5]HP){1|P<4>,2|H<1>,3|C<3>}	107.8980	0.069	2	107.8980	0.005	2	108.9670	2.275	10	108.8950	2.056	13	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C[6a])	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|N<3>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a]){1|C<4>,1|H<1>,6|C<3>}	111.7040	0.000	1	111.7040	0.000	1	111.7040	0.000	1	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:N[5]-3:	N[5](C[5]C[4,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[4,5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[4,5]C[4,5]N[4]H)(N[5]C[6a]C[5])	N[5](C[5]C[4,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[4,5]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[4,5]C[4,5]N[4]H)(N[5]C[6a]C[5]){1|C<4>,2|H<1>,4|C<3>}	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])	N[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5]){4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	108.4715	3.734	2	108.4715	13.944	2	109.6226	7.608	5	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])	N[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	111.5170	0.000	1	111.5170	0.000	1	109.6226	7.608	5	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,5]){4|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	112.0810	0.000	1	112.0810	0.000	1	109.6226	7.608	5	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5]2N[5])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5]2N[5])(N[5]C[6a]C[5]){3|C<4>,3|H<1>,5|C<3>}	107.5720	0.000	1	107.5720	0.000	1	109.6226	7.608	5	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[5]C[6]S[6])(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|S<2>,3|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]S[6])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	111.6460	0.000	1	111.6460	0.000	1	111.6460	0.000	1	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(N[5]C[6a]C[5])	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(N[5]C[6a]C[5]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	109.2000	0.000	1	109.2000	0.000	1	110.8330	4.387	8	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(N[5]C[6a]C[5])	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[5,5]C[6a]H)(N[5]C[6a]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	110.7300	0.000	1	110.7300	0.000	1	110.8330	4.387	8	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]C[5])	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	107.1750	0.000	1	107.1750	0.000	1	110.8330	4.387	8	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,4|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|N<3>,2|H<1>,5|C<3>}	109.9810	0.000	1	109.9810	0.000	1	110.8330	4.387	8	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5]){1|S<2>,2|H<1>,5|C<3>}	112.2380	0.000	1	112.2380	0.000	1	110.8330	4.387	8	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){2|H<1>,6|C<3>}	113.7250	0.000	1	112.4467	2.071	3	110.8330	4.387	8	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){5|C<3>,5|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|N<2>,3|H<1>,4|C<3>}	110.8880	0.000	1	112.4467	2.071	3	110.8330	4.387	8	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	0:SP3_SP2_SP3	N[5]	C[6a]	O[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){5|C<3>,5|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	112.7270	0.000	1	112.4467	2.071	3	110.8330	4.387	8	110.6053	4.624	17	110.1344	4.432	39	110.1344	4.432	39
542	643	976	6:SP2_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:2:4:	3:3:3:	3:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]Cl)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]Cl){2|C<3>,2|C<4>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	107.7500	0.000	1	107.7500	0.000	1	107.5212	0.266	5	107.5212	0.266	5	107.5835	0.168	15	107.5835	0.168	15
542	643	976	6:SP2_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:2:4:	3:3:3:	3:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){1|C<4>,2|C<3>,5|H<1>}	107.1210	0.000	1	107.4640	0.332	4	107.5212	0.266	5	107.5212	0.266	5	107.5835	0.168	15	107.5835	0.168	15
542	643	976	6:SP2_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:2:4:	3:3:3:	3:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	107.5783	0.648	3	107.4640	0.332	4	107.5212	0.266	5	107.5212	0.266	5	107.5835	0.168	15	107.5835	0.168	15
542	643	976	6:SP2_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	107.0270	0.000	1	107.6842	0.105	6	107.6269	0.156	9	107.6147	0.140	10	107.5835	0.168	15	107.5835	0.168	15
542	643	976	6:SP2_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	107.8130	0.000	1	107.6842	0.105	6	107.6269	0.156	9	107.6147	0.140	10	107.5835	0.168	15	107.5835	0.168	15
542	643	976	6:SP2_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	107.8162	0.041	4	107.6842	0.105	6	107.6269	0.156	9	107.6147	0.140	10	107.5835	0.168	15	107.5835	0.168	15
542	643	976	6:SP2_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	107.2470	0.494	2	107.5123	0.333	3	107.6269	0.156	9	107.6147	0.140	10	107.5835	0.168	15	107.5835	0.168	15
542	643	976	6:SP2_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	108.0430	0.000	1	107.5123	0.333	3	107.6269	0.156	9	107.6147	0.140	10	107.5835	0.168	15	107.5835	0.168	15
542	643	976	6:SP2_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1	107.6147	0.140	10	107.5835	0.168	15	107.5835	0.168	15
542	643	976	6:SP3_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:2:4:	3:3:3:	3:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	108.1010	0.556	3	108.1010	0.309	3	107.6719	0.232	9	107.6719	0.232	9	107.7176	0.432	44	107.7176	0.432	44
542	643	976	6:SP3_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:2:4:	3:3:3:	3:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){1|C<4>,2|C<3>,5|H<1>}	107.3810	0.000	1	107.5564	0.028	5	107.6719	0.232	9	107.6719	0.232	9	107.7176	0.432	44	107.7176	0.432	44
542	643	976	6:SP3_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:2:4:	3:3:3:	3:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	107.6003	0.157	4	107.5564	0.028	5	107.6719	0.232	9	107.6719	0.232	9	107.7176	0.432	44	107.7176	0.432	44
542	643	976	6:SP3_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:2:4:	3:3:3:	3:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	106.9620	0.000	1	106.9620	0.000	1	107.6719	0.232	9	107.6719	0.232	9	107.7176	0.432	44	107.7176	0.432	44
542	643	976	6:SP3_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	108.0528	0.322	4	107.8189	0.117	8	107.6320	0.548	28	107.7294	0.491	35	107.7176	0.432	44	107.7176	0.432	44
542	643	976	6:SP3_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	107.5850	0.155	4	107.8189	0.117	8	107.6320	0.548	28	107.7294	0.491	35	107.7176	0.432	44	107.7176	0.432	44
542	643	976	6:SP3_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	108.0430	0.000	1	108.3000	0.061	3	107.6320	0.548	28	107.7294	0.491	35	107.7176	0.432	44	107.7176	0.432	44
542	643	976	6:SP3_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){2|C<3>,3|C<4>,4|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	108.4285	0.151	2	108.3000	0.061	3	107.6320	0.548	28	107.7294	0.491	35	107.7176	0.432	44	107.7176	0.432	44
542	643	976	6:SP3_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	107.3844	0.857	16	107.4261	0.719	17	107.6320	0.548	28	107.7294	0.491	35	107.7176	0.432	44	107.7176	0.432	44
542	643	976	6:SP3_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	108.0940	0.000	1	107.4261	0.719	17	107.6320	0.548	28	107.7294	0.491	35	107.7176	0.432	44	107.7176	0.432	44
542	643	976	6:SP3_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	108.1780	0.383	3	108.1780	0.147	3	108.1190	0.099	7	107.7294	0.491	35	107.7176	0.432	44	107.7176	0.432	44
542	643	976	6:SP3_SP2_SP3	N[5,6]	C[6,6a]	O[5,6]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[5,6]-4:	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	108.0747	0.306	4	108.0747	0.094	4	108.1190	0.099	7	107.7294	0.491	35	107.7176	0.432	44	107.7176	0.432	44
542	643	982	0:SP2_SP2_SPD5	N[5]	C[6a]	Ge[3,3,5]	5:3:3:	3:3:3:	3:3:3:3:4:	Ge[3,3,5]-5:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[3]-3:N[3]-3:N[5]-3:N[5]-3:B[3,3]-4:	N[5](Ge[3,3,5]B[3,3]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](N[5]Ge[3,3,5]C[5])(C[6a]C[6a]C)2	Ge[3,3,5](N[3]B[3,3]C[6a])2(N[5]C[6a]C[5])2(B[3,3]N[3]2N)	N[5](Ge[3,3,5]B[3,3]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](N[5]Ge[3,3,5]C[5])(C[6a]C[6a]C)2{1|B<4>,2|C<3>,3|H<1>,3|N<3>}	Ge[3,3,5](N[3]B[3,3]C[6a])2(N[5]C[6a]C[5])2(B[3,3]N[3]2N){2|H<1>,8|C<3>}	130.9690	1.133	4	130.9690	1.284	4	130.9690	1.284	4	130.9690	1.284	4	128.0092	21.849	6	128.0092	21.849	6
542	643	982	0:SP2_SP2_SPD5	N[5]	C[6a]	Ge[3,3,5]	5:3:3:	3:3:3:	3:3:3:4:3:	Ge[3,3,5]-5:C[6a]-3:B[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[3]-3:N[3]-3:N[5]-3:B[3,3]-4:Ge[5]-3:	N[5](Ge[3,3,5]B[3,3]Ge[5]N[3]2)(C[6a]C[6a]2)(B[5]N[5]N)	C[6a](N[5]Ge[3,3,5]B[5])(C[6a]C[6a]C)2	Ge[3,3,5](N[3]B[3,3]C[6a])2(N[5]C[6a]B[5])(B[3,3]N[3]2N)(Ge[5]N[5]C)	N[5](Ge[3,3,5]B[3,3]Ge[5]N[3]2)(C[6a]C[6a]2)(B[5]N[5]N){1|C<2>,1|N<3>,2|C<4>,5|C<3>}	C[6a](N[5]Ge[3,3,5]B[5])(C[6a]C[6a]C)2{1|Ge<3>,1|B<4>,1|C<3>,2|H<1>,4|N<3>}	Ge[3,3,5](N[3]B[3,3]C[6a])2(N[5]C[6a]B[5])(B[3,3]N[3]2N)(Ge[5]N[5]C){1|N<3>,7|C<3>}	122.0895	0.514	2	122.0895	0.264	2	122.0895	0.264	2	122.0895	0.264	2	128.0092	21.849	6	128.0092	21.849	6
542	643	987	0:SP2_SP-NON_SP2	N[5,6]	C[6,6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,6]-3:C[6,6a]-3:P[5]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-3:N[5,6]-3:	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(P[5]C[5,6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]P[5])(C[6a]C[6a]H)	P[5](C[5,6]C[6,6a]N[5,6])(N[5,6]C[6,6a]C[5,6])	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(P[5]C[5,6]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]P[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	P[5](C[5,6]C[6,6a]N[5,6])(N[5,6]C[6,6a]C[5,6]){6|C<3>}	123.8770	0.000	1	123.8770	0.000	1	123.8770	0.000	1	123.4720	0.328	2	123.4720	0.328	2	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5,6]	C[6,6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[5,6]-3:P[5]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(P[5]C[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]P[5])(C[6a]C[6a]H)	P[5](N[5,6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[6])	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(P[5]C[5,6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]P[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	P[5](N[5,6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[6]){1|H<1>,5|C<3>}	123.0670	0.000	1	123.0670	0.000	1	123.0670	0.000	1	123.4720	0.328	2	123.4720	0.328	2	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5]	C[6a]	P[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:P[5]-2:P[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(P[5]C[5])(P[5]N[5])	C[6a](C[6a]C[6a]2)2(N[5]P[5]2)	P[5](N[5]C[6a]P[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(P[5]C[5])(P[5]N[5]){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]2)2(N[5]P[5]2){1|N<3>,2|H<1>,6|C<3>}	P[5](N[5]C[6a]P[5])(C[5]N[5]N){3|C<3>}	118.0200	0.000	1	118.0200	0.000	1	118.0200	0.000	1	119.4185	3.912	2	122.8753	4.633	52	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5]	C[6a]	P[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:P[5]-2:P[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(P[5]C[5])(P[5]N[5])	C[6a](C[6a]C[6a]2)2(N[5]P[5]2)	P[5](N[5]C[6a]C[5])(N[5]C[6a]P[5])	N[5](C[6a]C[6a]2)(P[5]C[5])(P[5]N[5]){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]2)2(N[5]P[5]2){1|N<3>,2|H<1>,6|C<3>}	P[5](N[5]C[6a]C[5])(N[5]C[6a]P[5]){1|N<2>,4|C<3>}	120.8170	0.000	1	120.8170	0.000	1	120.8170	0.000	1	119.4185	3.912	2	122.8753	4.633	52	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,5]-3:C[6a]-3:P[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	C[6a](N[5]C[5,5]P[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	P[5](N[5]C[5,5]C[6a])2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){1|C<4>,1|H<1>,6|C<3>}	C[6a](N[5]C[5,5]P[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	P[5](N[5]C[5,5]C[6a])2{6|C<3>}	122.4912	1.770	10	122.4912	3.131	10	122.8817	3.063	14	122.9420	4.304	46	122.8753	4.633	52	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,5]-3:C[6a]-3:P[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	C[6a](N[5]C[5,5]P[5])(C[6a]C[6a]C)2	P[5](N[5]C[5,5]C[6a])2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){2|C<4>,6|C<3>}	C[6a](N[5]C[5,5]P[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	P[5](N[5]C[5,5]C[6a])2{6|C<3>}	123.8580	1.450	4	123.8580	2.102	4	122.8817	3.063	14	122.9420	4.304	46	122.8753	4.633	52	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,5a]-3:C[6a]-3:P[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(P[5]N[5])	C[6a](N[5]C[5,5a]P[5])(C[6a]C[6a]C)2	P[5](N[5]C[5,5a]C[6a])2	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(P[5]N[5]){2|C<4>,6|C<3>}	C[6a](N[5]C[5,5a]P[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	P[5](N[5]C[5,5a]C[6a])2{6|C<3>}	126.5620	1.863	2	126.5620	3.469	2	126.5620	3.469	2	122.9420	4.304	46	122.8753	4.633	52	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:P[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5])	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)2	P[5](N[5]C[5,6a]C[6a])2	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]){2|H<1>,6|C<3>}	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	P[5](N[5]C[5,6a]C[6a])2{6|C<3>}	121.8570	0.103	2	121.8570	0.011	2	121.8570	0.011	2	122.9420	4.304	46	122.8753	4.633	52	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:P[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]H)(C[6a]C[6a]2)(P[5]C[5,6a])	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]H)(C[6a]C[6a]2)(P[5]C[5,6a]){2|C<4>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|H<1>,4|C<3>}	122.9730	0.000	1	122.9730	0.000	1	122.9730	0.000	1	122.9420	4.304	46	122.8753	4.633	52	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:P[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6])	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]){2|C<4>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){1|H<1>,5|C<3>}	119.7085	0.496	2	119.4607	0.307	3	119.4607	0.307	3	122.9420	4.304	46	122.8753	4.633	52	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:P[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6])	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]){2|C<4>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	118.9650	0.000	1	119.4607	0.307	3	119.4607	0.307	3	122.9420	4.304	46	122.8753	4.633	52	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:P[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5])	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	P[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5]){3|C<3>,3|C<4>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	P[5](N[5]C[6a]C[5])2{2|C<4>,4|C<3>}	122.4466	2.149	10	122.4466	4.618	10	123.1998	3.616	24	122.9420	4.304	46	122.8753	4.633	52	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:P[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5])	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	P[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	P[5](N[5]C[6a]C[5])2{2|H<1>,4|C<3>}	123.9875	1.308	13	123.9875	1.712	13	123.1998	3.616	24	122.9420	4.304	46	122.8753	4.633	52	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:P[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]P[5]N)(P[5]N[5])	C[6a](N[5]C[5]P[5])(C[6a]C[6a]2)2	P[5](N[5]C[6a]C[5])(N[5]C[6a]P[5])	N[5](C[6a]C[6a]2)(C[5]P[5]N)(P[5]N[5]){5|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]2)2{1|N<2>,1|N<3>,1|P<2>,2|H<1>,5|C<3>}	P[5](N[5]C[6a]C[5])(N[5]C[6a]P[5]){1|N<2>,4|C<3>}	120.4920	0.000	1	120.4920	0.000	1	123.1998	3.616	24	122.9420	4.304	46	122.8753	4.633	52	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5]	C[6a]	P[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:P[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5])	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	P[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	P[5](N[5]C[6a]C[5])2{4|C<3>,4|H<1>}	125.4040	1.034	2	125.4040	1.069	2	123.8365	3.632	4	123.8365	3.632	4	122.8753	4.633	52	122.8974	4.477	54
542	643	987	0:SP2_SP-NON_SP2	N[5]	C[6a]	P[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:P[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5])	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]){3|C<3>,4|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	P[5](N[5]C[6a]C[5])2{4|C<3>,4|H<1>}	122.2690	0.018	2	122.2690	0.000	2	123.8365	3.632	4	123.8365	3.632	4	122.8753	4.633	52	122.8974	4.477	54
542	643	987	0:SP3_SP-NON_SP2	N[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	P[3,5]-3:C[6a]-3:P[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(P[5]C[5])	C[6a](N[5]P[3,5]P[5])(C[6a]C[6a]2)2	P[5](N[5]P[3,5]C[6a])(C[5]P[3,5]C)	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(P[5]C[5]){1|C<4>,5|C<3>}	C[6a](N[5]P[3,5]P[5])(C[6a]C[6a]2)2{1|N<3>,1|P<3>,2|H<1>,6|C<3>}	P[5](N[5]P[3,5]C[6a])(C[5]P[3,5]C){1|N<3>,2|C<3>}	112.7320	0.000	1	112.7320	0.000	1	112.7320	0.000	1	112.7320	0.000	1	112.7320	0.000	1	112.7320	0.000	1
542	643	996	0:SP2_SP2_SP3	N[5]	C[6a]	Si[4,5]	4:3:3:	3:3:3:	3:3:3:2:	Si[4,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[4]-3:N[5]-3:N[5]-3:O[4]-2:	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](N[5]Si[4,5]C[5])(C[6a]C[6a]C)2	Si[4,5](N[4]B[5a]C[4])(N[5]C[6a]C[5])2(O[4]C[4])	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	C[6a](N[5]Si[4,5]C[5])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|N<3>,3|H<1>}	Si[4,5](N[4]B[5a]C[4])(N[5]C[6a]C[5])2(O[4]C[4]){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	134.1910	0.000	1	134.1910	0.000	1	134.1910	0.000	1	134.1910	0.000	1	132.4095	6.347	2	132.4095	6.347	2
542	643	996	0:SP2_SP2_SP3	N[5]	C[6a]	Si[4,5]	4:3:3:	3:3:3:	4:4:3:3:	Si[4,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4,5]-4:N[5]-3:N-3:	N[5](Si[4,5]C[4,5]2N)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](N[5]Si[4,5]C[5])(C[6a]C[6a]C)2	Si[4,5](C[4,5]C[4,5]C[5]C)2(N[5]C[6a]C[5])(NC[6a]H)	N[5](Si[4,5]C[4,5]2N)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,3|C<3>,5|C<4>}	C[6a](N[5]Si[4,5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	Si[4,5](C[4,5]C[4,5]C[5]C)2(N[5]C[6a]C[5])(NC[6a]H){1|H<1>,2|C<4>,5|C<3>}	130.6280	0.000	1	130.6280	0.000	1	130.6280	0.000	1	130.6280	0.000	1	132.4095	6.347	2	132.4095	6.347	2
542	643	996	0:SP3_SP2_SP3	N[5]	C[6a]	Si[4,5]	4:3:3:	3:3:3:	3:3:3:2:	Si[4,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[4]-3:N[5]-3:N[5]-3:O[4]-2:	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](N[5]Si[4,5]C[5])(C[6a]C[6a]C)2	Si[4,5](N[4]B[5a]C[4])(N[5]C[6a]C[5])2(O[4]C[4])	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	C[6a](N[5]Si[4,5]C[5])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|N<3>,3|H<1>}	Si[4,5](N[4]B[5a]C[4])(N[5]C[6a]C[5])2(O[4]C[4]){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	128.7490	0.000	1	128.7490	0.000	1	128.7490	0.000	1	128.7490	0.000	1	128.7490	0.000	1	128.7490	0.000	1
542	643	997	0:SP2_SP2_SP3	N[5]	C[6a]	Se[5]	2:3:2:	3:3:3:	3:3:	Se[5]-2:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](N[5]Se[5]N[5])(C[6a]C[6a]H)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](N[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|H<1>,4|C<3>}	123.3397	0.241	4	123.3397	0.058	4	123.3397	0.058	4	123.3397	0.058	4	120.0730	4.565	17	120.0730	4.565	17
542	643	997	0:SP2_SP2_SP3	N[5]	C[6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]C)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	121.1820	0.530	2	121.1820	0.281	2	118.9788	1.437	12	118.9788	1.437	12	120.0730	4.565	17	120.0730	4.565	17
542	643	997	0:SP2_SP2_SP3	N[5]	C[6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]Br)(C[6a]C[6a]H)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,4|C<3>}	117.9810	0.000	1	117.9810	0.000	1	118.9788	1.437	12	118.9788	1.437	12	120.0730	4.565	17	120.0730	4.565	17
542	643	997	0:SP2_SP2_SP3	N[5]	C[6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,4|C<3>}	117.7910	0.000	1	117.7910	0.000	1	118.9788	1.437	12	118.9788	1.437	12	120.0730	4.565	17	120.0730	4.565	17
542	643	997	0:SP2_SP2_SP3	N[5]	C[6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,4|C<3>}	118.7760	0.000	1	118.7013	0.399	8	118.9788	1.437	12	118.9788	1.437	12	120.0730	4.565	17	120.0730	4.565	17
542	643	997	0:SP2_SP2_SP3	N[5]	C[6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,4|C<3>}	118.9210	0.246	2	118.7013	0.399	8	118.9788	1.437	12	118.9788	1.437	12	120.0730	4.565	17	120.0730	4.565	17
542	643	997	0:SP2_SP2_SP3	N[5]	C[6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,4|C<3>}	119.1910	0.000	1	118.7013	0.399	8	118.9788	1.437	12	118.9788	1.437	12	120.0730	4.565	17	120.0730	4.565	17
542	643	997	0:SP2_SP2_SP3	N[5]	C[6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|N<2>,1|O<1>,4|C<3>}	119.4320	0.000	1	118.7013	0.399	8	118.9788	1.437	12	118.9788	1.437	12	120.0730	4.565	17	120.0730	4.565	17
542	643	997	0:SP2_SP2_SP3	N[5]	C[6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|N<3>,1|O<1>,4|C<3>}	118.1230	0.653	3	118.7013	0.399	8	118.9788	1.437	12	118.9788	1.437	12	120.0730	4.565	17	120.0730	4.565	17
542	643	997	0:SP2_SP2_SP3	N[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:Se[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]N[5])	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]C)2	Se[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	Se[5](N[5]C[6a]C[5])2{2|H<1>,4|C<3>}	120.1360	0.000	1	120.1360	0.000	1	120.1360	0.000	1	120.1360	0.000	1	120.0730	4.565	17	120.0730	4.565	17
542	658	818	0:SP2_SP2_SP3	N[5]	Si[6]	C[5]	4:3:3:	4:4:3:3:	3:3:1:	Si[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](Si[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	Si[6](C[6]C[6]HH)2(N[5]C[5]2)2	C[5](N[5]Si[6]C[5])(C[5]N[5]H)(H)	N[5](Si[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|C<4>,5|H<1>}	Si[6](C[6]C[6]HH)2(N[5]C[5]2)2{1|C<4>,2|C<3>,2|N<3>,8|H<1>}	C[5](N[5]Si[6]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<3>,3|C<4>}	127.5125	1.283	2	127.5125	1.647	2	127.5125	1.647	2	126.6365	1.609	4	126.6365	1.609	4	126.6365	1.609	4
542	658	818	0:SP2_SP2_SP3	N[5]	Si[6]	C[5]	4:3:3:	4:4:3:3:	3:3:1:	Si[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](Si[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	Si[6](C[6]C[6]HH)2(N[5]C[5]2)2	C[5](N[5]Si[6]C[5])(N[5]C[5]C)(H)	N[5](Si[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|C<4>,5|H<1>}	Si[6](C[6]C[6]HH)2(N[5]C[5]2)2{1|C<4>,2|C<3>,2|N<3>,8|H<1>}	C[5](N[5]Si[6]C[5])(N[5]C[5]C)(H){1|N<3>,2|C<4>,2|H<1>}	125.7605	0.332	2	125.7605	0.110	2	125.7605	0.110	2	126.6365	1.609	4	126.6365	1.609	4	126.6365	1.609	4
542	679	762	0:SP2_SP2_SP3	N[5,6]	B[5,6a]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	B[5,6a]-4:C[5,6]-3:C[6]-3:	C[6a,6a]-3:N[5,6]-3:N[5,6a]-3:O-2:	N[5,6]-3:C[6]-3:H-1:	N[5,6](B[5,6a]C[6a,6a]N[5,6a]O)(C[5,6]C[5]C[6])(C[6]C[6]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH)	C[6](N[5,6]B[5,6a]C[5,6])(C[6]C[6]H)(H)	N[5,6](B[5,6a]C[6a,6a]N[5,6a]O)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	C[6](N[5,6]B[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	127.7800	0.000	1	127.7800	0.000	1	127.7800	0.000	1	127.7800	0.000	1	127.6107	0.868	3	127.6107	0.868	3
542	679	762	0:SP2_SP2_SP3	N[5,6]	B[5,6a]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	B[5,6a]-4:C[5,6]-3:C[6]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])	C[6](N[5,6]B[5,6a]C[5,6])(C[6]C[6]H)(H)	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6]){1|N<3>,4|H<1>,8|C<3>}	C[6](N[5,6]B[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,5|C<3>}	128.4460	0.000	1	127.5260	1.693	2	127.5260	1.693	2	127.5260	1.693	2	127.6107	0.868	3	127.6107	0.868	3
542	679	762	0:SP2_SP2_SP3	N[5,6]	B[5,6a]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	B[5,6a]-4:C[5,6]-3:C[6]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])	C[6](N[5,6]B[5,6a]C[5,6])(C[6]C[6]H)(H)	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6]){1|S<2>,4|H<1>,8|C<3>}	C[6](N[5,6]B[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,5|C<3>}	126.6060	0.000	1	127.5260	1.693	2	127.5260	1.693	2	127.5260	1.693	2	127.6107	0.868	3	127.6107	0.868	3
542	679	818	0:SP2_SP2_SP3	N[5]	B[5a]	C[5]	4:3:3:	2:2:3:3:	3:3:1:	B[5a]-4:C[5]-3:C[5]-3:	O[5a]-2:O[5a]-2:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](B[5a]C[6a]O[5a]2)(C[5]C[5]H)(C[5]N[5]H)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H)	N[5](B[5a]C[6a]O[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,4|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[5]C[5]2){1|N<3>,4|H<1>,5|C<3>}	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	126.9618	2.002	6	126.9618	4.006	6	126.9618	4.006	6	126.4706	3.786	12	127.0554	5.510	30	127.0554	5.510	30
542	679	818	0:SP2_SP2_SP3	N[5]	B[5a]	C[5]	4:3:3:	2:2:3:3:	3:3:1:	B[5a]-4:C[5]-3:C[5]-3:	O[5a]-2:O[5a]-2:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](B[5a]C[6a]O[5a]2)(C[5]C[5]H)(C[5]N[5]H)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(H)	N[5](B[5a]C[6a]O[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,4|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[5]C[5]2){1|N<3>,4|H<1>,5|C<3>}	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(H){1|C<3>,2|H<1>,2|O<2>}	125.9793	1.935	6	125.9793	3.744	6	125.9793	3.744	6	126.4706	3.786	12	127.0554	5.510	30	127.0554	5.510	30
542	679	818	0:SP2_SP2_SP3	N[5]	B[5a]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	B[5a]-4:C[5]-3:C[5]-3:	N[5a,5a]-3:C[5a]-3:N[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H)	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2{2|S<1>,3|C<3>,3|H<1>,3|N<3>}	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|S<1>,2|N<3>}	124.9165	0.127	2	125.1472	4.545	4	125.1472	4.545	4	125.7377	3.592	6	127.0554	5.510	30	127.0554	5.510	30
542	679	818	0:SP2_SP2_SP3	N[5]	B[5a]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	B[5a]-4:C[5]-3:C[5]-3:	N[5a,5a]-3:C[5a]-3:N[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H)	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2{2|S<2>,3|C<3>,3|H<1>,3|N<3>}	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|S<2>,2|N<3>}	125.3780	3.661	2	125.1472	4.545	4	125.1472	4.545	4	125.7377	3.592	6	127.0554	5.510	30	127.0554	5.510	30
542	679	818	0:SP2_SP2_SP3	N[5]	B[5a]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	B[5a]-4:C[5]-3:C[5]-3:	N[5a,5a]-3:C[5a]-3:N[5]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(S)	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2{2|S<1>,3|C<3>,3|H<1>,3|N<3>}	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(S){1|C<3>,2|H<1>,2|N<3>}	126.9185	0.377	2	126.9185	0.142	2	126.9185	0.142	2	125.7377	3.592	6	127.0554	5.510	30	127.0554	5.510	30
542	679	818	0:SP2_SP2_SP3	N[5]	B[5a]	C[5]	4:3:3:	3:3:3:3:	3:3:2:	B[5a]-4:C[5]-3:C[5]-3:	N[5a,5a]-3:C[5a]-3:N[5]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(SRu)	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2{2|S<2>,3|C<3>,3|H<1>,3|N<3>}	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(SRu){1|C<3>,2|H<1>,2|N<3>}	126.2225	3.524	2	126.2225	12.415	2	126.2225	12.415	2	126.2225	12.415	2	127.0554	5.510	30	127.0554	5.510	30
542	679	818	0:SP2_SP2_SP3	N[5]	B[5a]	C[5]	4:3:3:	3:4:3:3:	3:3:1:	B[5a]-4:N[5]-3:C[5]-3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Co)(C[5]C[5]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]CH)(N[5]C[5]N[5])(C[6a]C[6a]2)	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Co)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]CH)(N[5]C[5]N[5])(C[6a]C[6a]2){1|Co<4>,1|N<3>,4|H<1>,7|C<3>}	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H){1|Co<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	125.7745	1.234	2	125.7745	1.523	2	128.7144	4.927	10	128.7144	4.927	10	127.0554	5.510	30	127.0554	5.510	30
542	679	818	0:SP2_SP2_SP3	N[5]	B[5a]	C[5]	4:3:3:	3:4:3:3:	3:3:1:	B[5a]-4:N[5]-3:C[5]-3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Li)(C[5]C[5]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]LiC)(N[5]C[5]N[5])(C[6a]C[6a]2)	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Li)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]LiC)(N[5]C[5]N[5])(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H){1|Li<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	127.8870	0.468	4	127.8870	0.219	4	128.7144	4.927	10	128.7144	4.927	10	127.0554	5.510	30	127.0554	5.510	30
542	679	818	0:SP2_SP2_SP3	N[5]	B[5a]	C[5]	4:3:3:	3:4:3:3:	3:3:1:	B[5a]-4:N[5]-3:C[5]-3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2)	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H){1|Mg<5>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	131.3930	0.330	2	131.0118	0.343	4	128.7144	4.927	10	128.7144	4.927	10	127.0554	5.510	30	127.0554	5.510	30
542	679	818	0:SP2_SP2_SP3	N[5]	B[5a]	C[5]	4:3:3:	3:4:3:3:	3:3:1:	B[5a]-4:N[5]-3:C[5]-3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2)	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H){1|Mg<6>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	130.6305	0.582	2	131.0118	0.343	4	128.7144	4.927	10	128.7144	4.927	10	127.0554	5.510	30	127.0554	5.510	30
542	679	818	5:SP2_SP2_SP3	N[5,6]	B[5,6a]	C[5,6]	4:3:3:	3:3:3:2:	3:3:3:	B[5,6a]-4:C[5,6]-3:C[6]-3:	C[6a,6a]-3:N[5,6]-3:N[5,6a]-3:O-2:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](B[5,6a]C[6a,6a]N[5,6a]O)(C[5,6]C[5]C[6])(C[6]C[6]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH)	C[5,6](N[5,6]B[5,6a]C[6])(C[5]N[5,6a]O)(C[6]C[6]H)	N[5,6](B[5,6a]C[6a,6a]N[5,6a]O)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	C[5,6](N[5,6]B[5,6a]C[6])(C[5]N[5,6a]O)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	111.1680	0.000	1	111.1680	0.000	1	111.1680	0.000	1	111.1680	0.000	1	111.7720	0.276	3	112.0234	0.263	5
542	679	818	5:SP2_SP2_SP3	N[5,6]	B[5,6a]	C[5,6]	4:3:3:	3:3:3:3:	3:3:3:	B[5,6a]-4:C[5,6]-3:C[6]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,6a]C[6])(C[6]C[6]H)	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6]){1|N<3>,4|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	112.0250	0.000	1	112.0740	0.005	2	112.0740	0.005	2	112.0740	0.005	2	111.7720	0.276	3	112.0234	0.263	5
542	679	818	5:SP2_SP2_SP3	N[5,6]	B[5,6a]	C[5,6]	4:3:3:	3:3:3:3:	3:3:3:	B[5,6a]-4:C[5,6]-3:C[6]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,6a]C[6])(C[6]C[6]H)	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6]){1|S<2>,4|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	112.1230	0.000	1	112.0740	0.005	2	112.0740	0.005	2	112.0740	0.005	2	111.7720	0.276	3	112.0234	0.263	5
542	679	818	5:SP2_SP2_SP3	N[5]	B[5,5a]	C[5]	4:3:3:	3:3:2:2:	3:4:4:	B[5,5a]-4:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:O[5a]-2:O[5a]-2:	N[5]-3:C[5]-4:C-4:	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]C)	B[5,5a](N[5]C[6a]C[5])2(O[5a]C[5a,6a])2	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]CH)(CH3)	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,5|C<3>}	B[5,5a](N[5]C[6a]C[5])2(O[5a]C[5a,6a])2{1|H<1>,2|C<4>,6|C<3>}	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]CH)(CH3){2|O<2>,3|C<3>}	112.4005	0.161	2	112.4005	0.026	2	112.4005	0.026	2	112.4005	0.026	2	112.4005	0.026	2	112.0234	0.263	5
542	679	818	6:SP2_SP2_SP3	N[5,6]	B[5a,6]	C[5,6]	4:3:4:	3:3:2:2:	3:3:2:	B[5a,6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:N[5,6]-3:O[5a]-2:O[5a]-2:	N[5,6]-3:C[6]-3:O[5]-2:	N[5,6](B[5a,6]N[5,6]O[5a]2)(C[5,6]C[6]O[5])(C[5]C[5]CC)	B[5a,6](N[5,6]C[5,6]C[5])2(O[5a]C[5a,6a])2	C[5,6](N[5,6]B[5a,6]C[5])(C[6]C[5,6]H)(O[5]C[5])	N[5,6](B[5a,6]N[5,6]O[5a]2)(C[5,6]C[6]O[5])(C[5]C[5]CC){1|C<4>,3|C<3>,3|H<1>}	B[5a,6](N[5,6]C[5,6]C[5])2(O[5a]C[5a,6a])2{2|O<2>,3|C<3>,6|C<4>}	C[5,6](N[5,6]B[5a,6]C[5])(C[6]C[5,6]H)(O[5]C[5]){1|N<3>,2|C<4>,2|H<1>,3|O<2>}	123.7195	0.207	2	123.7195	0.043	2	123.7195	0.043	2	123.7195	0.043	2	123.7195	0.043	2	123.7195	0.043	2
542	679	930	0:SP2_SP2_SP3	N[5]	B[5,5a]	C	4:2:3:	2:2:3:2:	3:3:3:	B[5,5a]-4:N[5]-2:C-3:	O[5a]-2:O[5a]-2:N[5]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5,5a]O[5a]2O[5])(N[5]P[5])(CC[6a]2)	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5])	C(N[5]B[5,5a]N[5])(C[6a]C[6a]2)2	N[5](B[5,5a]O[5a]2O[5])(N[5]P[5])(CC[6a]2){2|C<3>,2|C<4>}	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5]){2|C<3>,2|C<4>}	C(N[5]B[5,5a]N[5])(C[6a]C[6a]2)2	124.6400	0.058	2	124.6400	0.003	2	124.6400	0.003	2	124.6400	0.003	2	124.6400	0.003	2	124.6400	0.003	2
542	679	955	0:SP2_SP3_SP3	N[5,6]	B[5a,6]	P[5]	4:3:4:	3:2:2:2:	3:2:4:4:	B[5a,6]-4:N[5,6]-3:P[5]-4:	N[5,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	N[5,6]-3:O[5]-2:C-4:C-4:	N[5,6](B[5a,6]O[5a]2O[6])(N[5,6]B[5,5a]C[6])(P[5]O[5]CC)	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6])	P[5](N[5,6]B[5a,6]N[5,6])(O[5]B[5,5a])(CC3)2	N[5,6](B[5a,6]O[5a]2O[6])(N[5,6]B[5,5a]C[6])(P[5]O[5]CC){1|H<1>,1|P<4>,2|O<2>,3|C<3>}	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6]){1|B<4>,1|O<2>,2|C<3>,5|C<4>}	P[5](N[5,6]B[5a,6]N[5,6])(O[5]B[5,5a])(CC3)2{1|C<4>,5|O<2>}	130.7410	0.000	1	130.7410	0.000	1	130.7410	0.000	1	130.7410	0.000	1	130.7410	0.000	1	130.7410	0.000	1
542	679	960	5:SP2_SP2_SP3	N[5]	B[5,5a]	N[5]	4:2:3:	2:2:3:2:	3:4:	B[5,5a]-4:N[5]-2:C-3:	O[5a]-2:O[5a]-2:N[5]-3:O[5]-2:	N[5]-3:P[5]-4:	N[5](B[5,5a]O[5a]2O[5])(N[5]P[5])(CC[6a]2)	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5])	N[5](N[5]B[5,5a]C)(P[5]O[5]CC)	N[5](B[5,5a]O[5a]2O[5])(N[5]P[5])(CC[6a]2){2|C<3>,2|C<4>}	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5]){2|C<3>,2|C<4>}	N[5](N[5]B[5,5a]C)(P[5]O[5]CC){2|O<2>}	114.1945	0.257	2	114.1945	0.066	2	114.1945	0.066	2	114.1945	0.066	2	113.2870	1.126	4	113.2870	1.126	4
542	679	960	5:SP2_SP2_SP3	N[5]	B[5,5a]	N[5]	4:3:2:	3:3:2:2:	3:3:	B[5,5a]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:O[5a]-2:O[5a]-2:	C[5,6a]-3:N[5]-3:	N[5](B[5,5a]C[5,6a]O[5a]2)(C[6a]C[6a]2)(N[5]C[5,6a])	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O[5a]C[5a,6a])2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5a]C[6a])	N[5](B[5,5a]C[5,6a]O[5a]2)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O[5a]C[5a,6a])2{1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5a]C[6a]){1|H<1>,2|O<2>,4|C<3>}	112.3795	0.138	2	112.3795	0.019	2	112.3795	0.019	2	112.3795	0.019	2	113.2870	1.126	4	113.2870	1.126	4
542	686	818	5:SP2_SP2_SPD5	N[5]	Ge[4,5]	C[5]	5:3:4:	2:2:3:3:1:	3:3:3:	Ge[4,5]-5:C[5]-3:C-4:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl){1|Cl<1>,2|C<3>,2|N<3>}	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|Cl<1>,1|C<4>,2|O<2>}	116.3250	0.564	2	116.3250	0.318	2	116.3250	0.318	2	116.3250	0.318	2	116.6900	0.306	8	116.6900	0.306	8
542	686	818	5:SP2_SP2_SPD5	N[5]	Ge[4,5]	C[5]	5:3:4:	2:2:3:3:2:	3:3:3:	Ge[4,5]-5:C[5]-3:C-4:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:O-2:	N[5]-3:C[5]-3:C-3:	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi){1|O<2>,2|C<3>,2|N<3>}	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|C<4>,3|O<2>}	116.7635	0.419	2	116.7635	0.176	2	116.7635	0.176	2	116.7635	0.176	2	116.6900	0.306	8	116.6900	0.306	8
542	686	818	5:SP2_SP2_SPD5	N[5]	Ge[4,5]	C[5]	5:3:4:	2:2:3:3:3:	3:3:3:	Ge[4,5]-5:C[5]-3:C-4:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:N-3:	N[5]-3:C[5]-3:C-3:	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C){2|C<3>,3|N<3>}	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,2|O<2>}	117.2260	0.339	2	117.2260	0.115	2	117.2260	0.115	2	117.2260	0.115	2	116.6900	0.306	8	116.6900	0.306	8
542	686	818	5:SP2_SP2_SPD5	N[5]	Ge[4,5]	C[5]	5:3:4:	3:2:2:3:3:	3:3:3:	Ge[4,5]-5:C[5]-3:C-4:	N[5a]-3:O[4]-2:O[4]-2:N[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-3:	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH)	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<4>,3|C<3>}	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2{2|H<1>,3|N<3>,4|C<3>}	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,2|O<2>}	116.4455	0.750	2	116.4455	0.563	2	116.4455	0.563	2	116.4455	0.563	2	116.6900	0.306	8	116.6900	0.306	8
542	686	880	0:SP3_SP3_SPD5	N[5]	Ge[4,5,5]	Si	5:4:4:	4:4:3:3:1:	3:4:4:4:	Ge[4,5,5]-5:C[5]-4:Si-4:	N[4,5,5]-4:N[4,5,5]-4:N[5]-3:N[5]-3:Cl-1:	N[5]-3:C-4:C-4:C-4:	N[5](Ge[4,5,5]N[4,5,5]2N[5]Cl)(C[5]C[5]HH)(SiC3)	Ge[4,5,5](N[4,5,5]Ge[4,5,5]C[5]2)2(N[5]C[5]Si)2(Cl)	Si(N[5]Ge[4,5,5]C[5])(CH3)3	N[5](Ge[4,5,5]N[4,5,5]2N[5]Cl)(C[5]C[5]HH)(SiC3){1|Ge<5>,1|Si<4>,2|H<1>,4|C<4>}	Ge[4,5,5](N[4,5,5]Ge[4,5,5]C[5]2)2(N[5]C[5]Si)2(Cl){12|H<1>,1|Cl<1>,2|C<4>,2|N<3>}	Si(N[5]Ge[4,5,5]C[5])(CH3)3	130.9835	3.232	2	130.9835	10.447	2	130.9835	10.447	2	130.9835	10.447	2	130.9835	10.447	2	130.9835	10.447	2
542	718	818	5:SP2_SP2_SPD5	N[5,5]	P[4,5,5]	C[5]	5:3:3:	3:3:3:2:2:	3:3:1:	P[4,5,5]-5:C[5]-3:C[5]-3:	N[4]-3:N[4]-3:N[5,5]-3:O[5]-2:O[5]-2:	N[5,5]-3:C[5]-3:H-1:	N[5,5](P[4,5,5]N[4]2O[5]2)(C[5]C[5]H)2	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2	C[5](N[5,5]P[4,5,5]C[5])(C[5]O[5]C)(H)	N[5,5](P[4,5,5]N[4]2O[5]2)(C[5]C[5]H)2{1|P<5>,2|C<3>,2|C<4>}	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2{1|N<3>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5](N[5,5]P[4,5,5]C[5])(C[5]O[5]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	109.3107	1.741	6	109.3107	3.031	6	109.3107	3.031	6	109.3107	3.031	6	109.3107	3.031	6	112.4116	23.536	9
542	718	818	5:SP2_SP2_SPD5	N[5]	P[4,5]	C[5]	5:3:1:	3:3:4:3:2:	3:3:1:	P[4,5]-5:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[4]-4:N[5]-3:O[4]-2:	C[5,6a]-3:N[5]-3:O-1:	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[4,5]H)(O)	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H){3|C<4>,4|C<3>}	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[4,5]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.5160	0.000	2	118.5160	0.000	2	118.5160	0.000	2	118.5160	0.000	2	118.6133	0.028	3	112.4116	23.536	9
542	718	818	5:SP2_SP2_SPD5	N[5]	P[4,5]	C[5]	5:3:1:	3:4:2:3:3:	3:3:1:	P[4,5]-5:C[5]-3:H-1:	C[5,6a]-3:C[4]-4:O[4]-2:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[4,5]H)(O)	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H){1|H<1>,2|C<4>,4|C<3>}	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[4,5]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.8080	0.000	1	118.8080	0.000	1	118.8080	0.000	1	118.8080	0.000	1	118.6133	0.028	3	112.4116	23.536	9
542	718	951	0:SP2_SP-NON_SPD5	N[5]	P[4,5]	H	5:3:1:	3:3:4:3:2:	3:	P[4,5]-5:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[4]-4:N[5]-3:O[4]-2:	N[5]-3:	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4])	H(N[5]P[4,5]C[5])	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H){3|C<4>,4|C<3>}	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(N[5]P[4,5]C[5])	120.7490	0.000	2	120.7490	0.000	2	120.7490	0.000	2	120.7490	0.000	2	120.6943	0.009	3	120.6943	0.009	3
542	718	951	0:SP2_SP-NON_SPD5	N[5]	P[4,5]	H	5:3:1:	3:4:2:3:3:	3:	P[4,5]-5:C[5]-3:H-1:	C[5,6a]-3:C[4]-4:O[4]-2:C[6a]-3:N[5]-3:	N[5]-3:	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H)	H(N[5]P[4,5]C[5])	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H){1|H<1>,2|C<4>,4|C<3>}	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(N[5]P[4,5]C[5])	120.5850	0.000	1	120.5850	0.000	1	120.5850	0.000	1	120.5850	0.000	1	120.6943	0.009	3	120.6943	0.009	3
542	722	727	5:SP2_SP2_SPD5	N[5,5]	Si[4,5,5]	C[5,6a]	5:3:3:	3:3:2:4:4:	3:3:3:	Si[4,5,5]-5:C[5,6a]-3:C[5]-3:	N[5,5a]-3:N[5,5]-3:O[5]-2:C[4]-4:C[4]-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](Si[4,5,5]N[5,5a]C[4]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	Si[4,5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[4]C[4]HH)2	C[5,6a](N[5,5]Si[4,5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,5](Si[4,5,5]N[5,5a]C[4]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){1|C<4>,4|C<3>,5|H<1>}	Si[4,5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[4]C[4]HH)2{4|C<3>,4|H<1>}	C[5,6a](N[5,5]Si[4,5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.5815	0.338	4	111.5815	0.114	4	111.5815	0.114	4	111.5815	0.114	4	111.5815	0.114	4	111.5815	0.114	4
542	722	818	5:SP2_SP2_SPD5	N[5,5]	Si[4,5,5]	C[5]	5:3:3:	3:3:2:4:4:	3:3:1:	Si[4,5,5]-5:C[5,6a]-3:C[5]-3:	N[5,5a]-3:N[5,5]-3:O[5]-2:C[4]-4:C[4]-4:	N[5,5]-3:C[5,5a]-3:H-1:	N[5,5](Si[4,5,5]N[5,5a]C[4]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	Si[4,5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[4]C[4]HH)2	C[5](N[5,5]Si[4,5,5]C[5,6a])(C[5,5a]N[5,5a]C[5a])(H)	N[5,5](Si[4,5,5]N[5,5a]C[4]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){1|C<4>,4|C<3>,5|H<1>}	Si[4,5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[4]C[4]HH)2{4|C<3>,4|H<1>}	C[5](N[5,5]Si[4,5,5]C[5,6a])(C[5,5a]N[5,5a]C[5a])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	117.1608	0.224	4	117.1608	0.050	4	117.1608	0.050	4	117.1608	0.050	4	117.1608	0.050	4	117.1608	0.050	4
542	727	727	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5])	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5]){3|H<1>,6|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	136.1210	0.000	1	136.1210	0.000	1	136.1710	0.005	2	136.1710	0.005	2	126.0445	36.793	16	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5])	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	136.2210	0.000	1	136.2210	0.000	1	136.1710	0.005	2	136.1710	0.005	2	126.0445	36.793	16	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]N[5]2)	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]N[5]2){1|O<2>,2|H<1>,2|S<4>,6|C<3>}	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	123.8340	0.000	1	123.8340	0.000	1	123.8340	0.000	1	123.1960	0.814	2	126.0445	36.793	16	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2Se)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2Se){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.5580	0.000	1	122.5580	0.000	1	122.5580	0.000	1	123.1960	0.814	2	126.0445	36.793	16	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:5:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-5:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]P[5]2CO)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]P[5]2CO){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	126.7608	13.324	9	126.0445	36.793	16	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:5:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2Cl2)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2Cl2){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	128.3830	0.000	1	128.3830	0.000	1	127.4414	2.143	7	126.7608	13.324	9	126.0445	36.793	16	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:5:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HN)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HN){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	125.4110	0.000	1	126.3180	2.896	3	127.4414	2.143	7	126.7608	13.324	9	126.0445	36.793	16	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:5:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HN)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HN){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	126.7715	2.135	2	126.3180	2.896	3	127.4414	2.143	7	126.7608	13.324	9	126.0445	36.793	16	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:5:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HO)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HO){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	128.2510	0.463	3	128.2510	0.214	3	127.4414	2.143	7	126.7608	13.324	9	126.0445	36.793	16	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:5:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:Si[5,5]-5:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5,5]O[5]2CC)	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5,5]O[5]2CC){2|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|C<4>}	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|C<4>}	130.6690	0.000	1	130.6690	0.000	1	130.6690	0.000	1	126.7608	13.324	9	126.0445	36.793	16	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:6:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-6:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]O[5]2Cl2O)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]O[5]2Cl2O){2|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|Cl<1>,1|O<2>,1|O<3>,2|C<4>,3|C<3>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|Cl<1>,1|O<2>,1|O<3>,2|C<4>,3|C<3>}	125.6710	0.000	1	125.6710	0.000	1	119.0437	35.757	3	119.0437	35.757	3	126.0445	36.793	16	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:6:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-6:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]P[5]2CCO)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]P[5]2CCO){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,3|C<3>,4|C<4>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,3|C<3>,4|C<4>}	114.0520	0.000	1	114.0520	0.000	1	119.0437	35.757	3	119.0437	35.757	3	126.0445	36.793	16	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:6:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-6:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]P[5]2COO)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]P[5]2COO){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	117.4080	0.000	1	117.4080	0.000	1	119.0437	35.757	3	119.0437	35.757	3	126.0445	36.793	16	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5a]-2:N[5a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]H)	C[5a](N[5]C[5,6a]N[5])(N[5a]N[5a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5a](N[5]C[5,6a]N[5])(N[5a]N[5a])2{2|H<1>,3|C<3>}	129.1290	0.000	1	129.1290	0.000	1	129.1290	0.000	1	129.1290	0.000	1	130.6817	16.777	8	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5a]-3:N[5a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](N[5]C[5,6a]C[5])(C[5a]N[5a]H)(N[5a]N[5a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]H){1|Ir<8>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5]C[5,6a]C[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	126.6370	0.000	1	126.6370	0.000	1	126.6370	0.000	1	130.3594	25.676	5	130.6817	16.777	8	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5a]-3:S[5a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](N[5]C[5,6a]C[5])(C[5a]C[5a]Ru)(S[5a]C[5a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]Ru){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5]C[5,6a]C[5])(C[5a]C[5a]Ru)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	134.4930	0.232	2	134.4930	0.054	2	134.4930	0.054	2	130.3594	25.676	5	130.6817	16.777	8	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5a]-3:N[5a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]S[5]N)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]S[5]N){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<2>,1|S<2>,4|C<3>}	123.3810	0.000	1	123.3810	0.000	1	123.3810	0.000	1	130.3594	25.676	5	130.6817	16.777	8	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5a]-3:N[5a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]N[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]N[5])(C[6a]C[6a]H)	C[5a](N[5]C[5,6a]N[5])(N[5a]C[5a,6a]Cd)(N[5a]C[5a,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]N[5]Cd){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]N[5])(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5]C[5,6a]N[5])(N[5a]C[5a,6a]Cd)(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	132.7930	0.000	1	132.7930	0.000	1	132.7930	0.000	1	130.3594	25.676	5	130.6817	16.777	8	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5a]-3:C[5a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](N[5]C[5,6a]C[5])(C[5a]S[5a]Ru)(C[5a]C[5a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]Ru){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5]C[5,6a]C[5])(C[5a]S[5a]Ru)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	134.1080	0.000	1	134.1080	0.000	1	134.1080	0.000	1	134.1080	0.000	1	130.6817	16.777	8	127.5903	34.088	24
542	727	727	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[5a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5a]-3:N[5a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]C)	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|N<3>,6|H<1>}	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	130.4200	0.000	1	130.4200	0.000	1	130.4200	0.000	1	130.4200	0.000	1	130.6817	16.777	8	127.5903	34.088	24
542	727	727	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.5180	0.000	1	116.4635	0.006	2	116.4635	0.006	2	116.4635	0.006	2	118.7190	15.265	3	119.9062	15.815	4
542	727	727	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2){2|H<1>,6|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	116.4090	0.000	1	116.4635	0.006	2	116.4635	0.006	2	116.4635	0.006	2	118.7190	15.265	3	119.9062	15.815	4
542	727	727	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2N)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2N){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	123.2300	0.000	1	123.2300	0.000	1	123.2300	0.000	1	123.2300	0.000	1	118.7190	15.265	3	119.9062	15.815	4
542	727	727	0:SP3_SP2_SP2	N[5]	C[5,6a]	C[5a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5a]-3:N[5]-3:O[5a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5]C[5,6a]C[5])(O[5a]C[5a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]HH){1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,6|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5]C[5,6a]C[5])(O[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	123.4680	0.000	1	123.4680	0.000	1	123.4680	0.000	1	123.4680	0.000	1	123.4680	0.000	1	119.9062	15.815	4
542	727	727	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6a]	3:3:6:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-6:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]O[5]2Cl3)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]O[5]2Cl3){2|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|Cl<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|Cl<1>,1|O<2>,2|C<4>,3|C<3>}	130.4530	0.000	1	130.4530	0.000	1	130.4530	0.000	1	130.4530	0.000	1	130.4530	0.000	1	114.5475	112.813	4
542	727	727	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:N[5,6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[6a,6a]N[5,6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]H)	N[5](C[5,6a]C[6a,6a]N[5,6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	109.2457	0.563	3	114.5475	112.813	4
542	727	727	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a]){1|N<2>,4|C<3>}	108.8780	0.000	1	108.8780	0.000	1	108.8140	0.008	2	108.8140	0.008	2	109.2457	0.563	3	114.5475	112.813	4
542	727	727	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>}	108.7500	0.000	1	108.7500	0.000	1	108.8140	0.008	2	108.8140	0.008	2	109.2457	0.563	3	114.5475	112.813	4
542	727	727	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[5a,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6,6a]-3:C[5a,6]-3:C[5]-4:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:N[5a,6]-3:N[5a]-2:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[5]C[5]HH)	C[5,6,6a](N[5,6]C[5a,6]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5a,6](N[5,6]C[5,6,6a]C[5])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](N[5,6]C[5a,6]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|N<2>,1|N<3>,3|C<3>,6|H<1>}	C[5a,6](N[5,6]C[5,6,6a]C[5])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,6|C<3>}	120.1050	0.000	1	120.1050	0.000	1	120.1050	0.000	1	120.1050	0.000	1	120.1050	0.000	1	120.1050	0.000	1
542	727	762	0:SP2_SP2_SP2	N[5,6,6]	C[5,6a]	C[6,6]	4:3:3:	3:3:3:	3:4:1:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O)	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[3x6]N[6,6]S[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[3x6]N[6,6]S[6,6]C)(O){1|S<2>,2|C<4>,3|C<3>}	127.5570	0.000	1	127.5570	0.000	1	127.5570	0.000	1	126.6900	1.503	2	126.6900	1.503	2	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6,6]	C[5,6a]	C[6,6]	4:3:3:	3:3:3:	3:4:1:	C[5,5,3x6]-4:C[5,6a]-3:C[6,6]-3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O)	C[5,6a](N[5,6,6]C[5,5,3x6]C[6,6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6,6](N[5,6,6]C[5,5,3x6]C[5,6a])(C[3x6]C[6,6]2H)(O)	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O){1|O<1>,2|H<1>,4|C<3>,4|C<4>}	C[5,6a](N[5,6,6]C[5,5,3x6]C[6,6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](N[5,6,6]C[5,5,3x6]C[5,6a])(C[3x6]C[6,6]2H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	125.8230	0.000	1	125.8230	0.000	1	125.8230	0.000	1	126.6900	1.503	2	126.6900	1.503	2	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:N[6a]-2:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5a,6]N[5])(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(N[6a]C[6a])	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]H)(CH3)	N[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5a,6]N[5])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]H)(CH3){1|N<2>,1|N<3>,3|C<3>}	131.1760	0.000	1	131.1760	0.000	1	131.1760	0.000	1	131.1760	0.000	1	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]O){1|Pt<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O){1|H<1>,1|N<3>,5|C<3>}	127.3677	0.212	3	127.3677	0.045	3	127.3677	0.045	3	127.7067	6.815	9	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	127.5715	0.107	2	127.5715	0.011	2	127.5715	0.011	2	127.7067	6.815	9	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]Si[5,6])(N[5,6]C[5,6a]C[5,6])(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O){1|Si<5>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](N[5,6]C[5,6a]Si[5,6])(N[5,6]C[5,6a]C[5,6])(O){1|N<3>,3|O<2>,5|C<3>}	126.4865	0.231	2	125.9500	0.890	3	125.9500	0.890	3	127.7067	6.815	9	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]Si[5,6])(N[5,6]C[5,6a]C[5,6])(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O){1|Si<6>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](N[5,6]C[5,6a]Si[5,6])(N[5,6]C[5,6a]C[5,6])(O){2|N<3>,3|O<2>,5|C<3>}	124.8770	0.000	1	125.9500	0.890	3	125.9500	0.890	3	127.7067	6.815	9	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5a,6a]-3:C[5,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6a]C[5a,6a]C[5,6a])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5,6]C[5,6]C[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	N[5,6](C[5,6a]C[5a,6a]C[5,6a])(C[5,6]C[6]N[5])(C[6]C[6]H){1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5,6]C[5,6]C[6]){1|Cu<4>,1|H<1>,2|N<2>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	134.2640	0.000	1	134.2640	0.000	1	134.2640	0.000	1	127.7067	6.815	9	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:N-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NH)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NH){1|C<2>,1|C<4>,3|C<3>}	126.1030	0.000	1	126.1030	0.000	1	126.1030	0.000	1	126.1030	0.000	1	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:N-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NHH)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NHH){1|C<2>,1|C<4>,3|C<3>}	128.6090	0.000	1	128.6090	0.000	1	128.6090	0.000	1	128.6090	0.000	1	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(CCCH)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(CCCH){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	129.1180	0.000	1	129.1180	0.000	1	129.1180	0.000	1	129.1180	0.000	1	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	127.6890	0.000	1	127.6890	0.000	1	126.1176	4.123	5	126.1176	4.123	5	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	128.0660	0.000	1	128.0660	0.000	1	126.1176	4.123	5	126.1176	4.123	5	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	123.0280	0.000	1	123.0280	0.000	1	126.1176	4.123	5	126.1176	4.123	5	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	126.4450	0.000	1	126.4450	0.000	1	126.1176	4.123	5	126.1176	4.123	5	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CN)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CN)(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	125.3600	0.000	1	125.3600	0.000	1	126.1176	4.123	5	126.1176	4.123	5	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	128.0040	0.000	1	128.0040	0.000	1	128.0040	0.000	1	128.2300	0.102	2	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]S)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]O)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]C)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]S)(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]O){1|O<1>,1|S<2>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]C)(O){1|C<4>,1|S<2>,3|C<3>}	128.4560	0.000	1	128.4560	0.000	1	128.4560	0.000	1	128.2300	0.102	2	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(COO)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	130.7910	0.000	1	130.7910	0.000	1	129.1800	10.528	3	129.1800	10.528	3	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5a,6]H)(CHO)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5a,6]H)(CHO){6|C<3>}	125.4450	0.000	1	125.4450	0.000	1	129.1800	10.528	3	129.1800	10.528	3	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(COO)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(COO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	131.3040	0.000	1	131.3040	0.000	1	129.1800	10.528	3	129.1800	10.528	3	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){2|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(O){2|C<3>,2|C<4>,3|H<1>}	118.5300	0.000	1	118.5300	0.000	1	124.7119	15.648	7	124.7119	15.648	7	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	126.3490	0.000	1	126.7930	0.394	2	124.7119	15.648	7	124.7119	15.648	7	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	127.2370	0.000	1	126.7930	0.394	2	124.7119	15.648	7	124.7119	15.648	7	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	127.7755	0.011	2	127.7755	0.000	2	124.7119	15.648	7	124.7119	15.648	7	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]O){4|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.5430	0.000	1	119.5430	0.000	1	124.7119	15.648	7	124.7119	15.648	7	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.7730	0.000	1	125.7730	0.000	1	124.7119	15.648	7	124.7119	15.648	7	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:2:3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[6]-2:C-3:	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]C)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a])(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]C){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a])(CC[6a]O){6|C<3>}	128.5660	0.000	1	128.5660	0.000	1	128.5660	0.000	1	128.5660	0.000	1	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:O-1:	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	126.7260	0.000	1	126.7260	0.000	1	125.7100	2.065	2	127.3378	2.535	9	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:O-1:	N[5,6](C[4,5,6]C[4,6]C[4]S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	N[5,6](C[4,5,6]C[4,6]C[4]S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	124.6940	0.000	1	124.6940	0.000	1	125.7100	2.065	2	127.3378	2.535	9	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:O-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	130.2420	0.000	1	129.1070	2.576	2	129.1070	2.576	2	127.3378	2.535	9	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:O-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	127.9720	0.000	1	129.1070	2.576	2	129.1070	2.576	2	127.3378	2.535	9	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]N[6]O)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]N[6]O)(O){3|C<3>,3|C<4>}	126.2620	0.396	2	126.2620	0.157	2	126.2620	0.157	2	127.3378	2.535	9	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]H)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	127.4470	0.000	1	127.4470	0.000	1	127.4470	0.000	1	127.3378	2.535	9	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)	N[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O){1|H<1>,1|O<2>,6|C<3>}	128.0580	0.000	1	128.0580	0.000	1	128.0580	0.000	1	127.3378	2.535	9	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]C)(O)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]C)(O){1|C<4>,5|C<3>}	128.3770	0.000	1	128.3770	0.000	1	128.3770	0.000	1	127.3378	2.535	9	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[4,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5,6]C[4,5,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[4,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5,6]C[4,5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[4,5,6,6]C[5,6a])(C[6]C[6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	126.2700	0.000	1	126.2700	0.000	1	126.2700	0.000	1	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|Cl<1>,3|C<3>,3|H<1>,5|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.4320	0.000	1	119.4804	13.895	7	119.9488	13.665	8	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	126.2000	0.000	1	119.4804	13.895	7	119.9488	13.665	8	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	116.2495	0.057	2	119.4804	13.895	7	119.9488	13.665	8	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>,5|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	117.7570	0.000	1	119.4804	13.895	7	119.9488	13.665	8	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|H<1>,4|C<3>,4|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.3190	0.000	1	119.4804	13.895	7	119.9488	13.665	8	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){4|C<3>,4|C<4>,4|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	117.1560	0.000	1	119.4804	13.895	7	119.9488	13.665	8	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6,6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	123.2270	0.000	1	123.2270	0.000	1	119.9488	13.665	8	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]O)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.8330	0.000	1	119.8330	0.000	1	119.8330	0.000	1	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	125.9179	1.398	30	125.7244	2.037	35	125.7212	2.219	37	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	124.5638	1.093	5	125.7244	2.037	35	125.7212	2.219	37	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	123.3620	0.000	1	123.3620	0.000	1	125.7212	2.219	37	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]O[6]CH)(O)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]O[6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	127.9660	0.000	1	127.9660	0.000	1	125.7212	2.219	37	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	126.4830	0.000	2	126.4830	0.000	2	126.4830	0.000	2	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,4|C<3>}	126.1070	0.000	1	126.1070	0.000	1	126.1070	0.000	1	124.7290	8.758	50	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	5:3:3:	3:3:3:	3:3:1:	Si[5,6]-5:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](Si[5,6]C[6a]N[5a]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O)	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]Si[5,6])(N[5,6]C[5,6a]C[5,6])(O)	N[5,6](Si[5,6]C[6a]N[5a]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O){1|H<1>,8|C<3>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[5,6]C[5,6a]Si[5,6])(N[5,6]C[5,6a]C[5,6])(O){1|N<3>,3|O<2>,5|C<3>}	116.7960	0.059	2	116.7960	0.004	2	116.7960	0.004	2	116.7960	0.004	2	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	5:3:3:	3:3:3:	3:3:3:	Si[5,6,6]-5:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){1|C<4>,1|H<1>,9|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	126.6960	0.221	2	126.6960	0.049	2	126.6960	0.049	2	126.0777	1.171	3	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	5:3:3:	3:3:3:	3:3:3:	Si[5,6]-5:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](Si[5,6]Si[5]O[5]O[6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]Si[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	N[5,6](Si[5,6]Si[5]O[5]O[6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]Si[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|O<2>,3|H<1>,6|C<3>}	124.8410	0.000	1	124.8410	0.000	1	124.8410	0.000	1	126.0777	1.171	3	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	In[5,5,6,6]-5:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C-4:	N[5,6](In[5,5,6,6]N[5,6]3Cl)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[5,6a](N[5,6]In[5,5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6](N[5,6]In[5,5,6,6]C[5,6a])(C[6]C[6]H)(CH3)	N[5,6](In[5,5,6,6]N[5,6]3Cl)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	C[5,6a](N[5,6]In[5,5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6](N[5,6]In[5,5,6,6]C[5,6a])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,2|C<3>,3|N<3>}	126.7870	0.847	4	126.7870	0.718	4	126.7870	0.718	4	126.7870	0.718	4	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	6:3:3:	3:3:3:	3:3:1:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:H-1:	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H)	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H){10|C<3>,1|H<1>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,2|O<2>,6|C<3>}	124.0290	0.000	1	124.0290	0.000	1	124.0290	0.000	1	121.3570	14.279	2	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	6:3:3:	3:3:3:	3:3:1:	Si[5,6]-6:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O)	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]Si[5,6])(N[5,6]C[5,6a]C[5,6])(O)	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O){10|C<3>,1|H<1>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	C[6](N[5,6]C[5,6a]Si[5,6])(N[5,6]C[5,6a]C[5,6])(O){2|N<3>,3|O<2>,5|C<3>}	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	121.3570	14.279	2	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	6:3:3:	3:3:3:	3:3:3:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){12|C<3>,1|H<1>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,6|C<3>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|O<2>,3|H<1>,8|C<3>}	125.4540	0.000	1	125.4540	0.000	1	125.4540	0.000	1	125.4540	0.000	1	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[6]	6:3:3:	3:3:3:	3:3:4:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C-4:	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6]C[6]H)(CH3)	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6]C[6]H)(CH3){1|C<4>,1|S<2>,3|C<3>,3|O<2>}	122.8450	0.276	3	122.8450	0.076	3	122.8450	0.076	3	122.8450	0.076	3	125.5111	10.572	105	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(N[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru)(C[6]N[6]2){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<9>,1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	129.6880	0.000	1	129.6880	0.000	1	130.2441	0.661	7	130.2441	0.661	7	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Mn)(N[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Mn)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	129.7940	0.000	1	129.7940	0.000	1	130.2441	0.661	7	130.2441	0.661	7	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ni)(N[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ni)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	130.2300	0.325	2	130.2300	0.106	2	130.2441	0.661	7	130.2441	0.661	7	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(N[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(N[6]C[6]){1|N<2>,2|C<3>,3|N<3>}	131.2775	0.383	2	131.2775	0.146	2	130.2441	0.661	7	130.2441	0.661	7	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Re)(N[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Re)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	129.2120	0.000	1	129.2120	0.000	1	130.2441	0.661	7	130.2441	0.661	7	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:B[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(B[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]B[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]B[5])(N[6]C[6]Ir)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(B[5]N[5]Ir){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]B[5]C[6])(C[6a]C[6a]H){1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]B[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	131.6660	0.000	1	131.6660	0.000	1	131.6660	0.000	1	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Fe)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Fe){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|N<3>,3|C<3>}	133.0860	1.799	2	132.7350	1.988	3	130.9844	1.370	25	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Fe)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Fe){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	132.0330	0.000	1	132.7350	1.988	3	130.9844	1.370	25	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ir)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	131.0580	0.457	2	130.6943	0.501	3	130.9844	1.370	25	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ir)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	129.9670	0.000	1	130.6943	0.501	3	130.9844	1.370	25	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Mn)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Mn){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	131.4980	0.000	1	131.4980	0.000	1	130.9844	1.370	25	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	131.7070	0.000	1	130.0019	0.970	7	130.9844	1.370	25	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	129.5995	0.868	4	130.0019	0.970	7	130.9844	1.370	25	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|N<3>,3|C<3>}	129.9540	0.048	2	130.0019	0.970	7	130.9844	1.370	25	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Re)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Re){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	130.7180	0.438	3	130.7180	0.192	3	130.9844	1.370	25	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	130.3865	0.747	2	131.3321	0.577	8	130.9844	1.370	25	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,2|N<3>,3|C<3>}	131.1875	0.073	2	131.3321	0.577	8	130.9844	1.370	25	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	131.5000	0.000	1	131.3321	0.577	8	130.9844	1.370	25	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ru){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	132.0030	0.365	3	131.3321	0.577	8	130.9844	1.370	25	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]Fe){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5]C[5,6a]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	133.9835	0.221	4	133.9835	0.049	4	134.0562	0.063	5	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]N[5]Ru){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	134.3470	0.000	1	134.3470	0.000	1	134.0562	0.063	5	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6]N[6])(N[5]C[5]Pd)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[6]N[5])	C[6](N[5]C[5,6a]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6]N[6])(N[5]C[5]Pd){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[6]N[5]){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](N[5]C[5,6a]N[5])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	133.5220	0.000	1	133.5220	0.000	1	133.5220	0.000	1	131.5650	2.465	32	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6]-4:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	127.2320	0.000	1	127.2320	0.000	1	127.2320	0.000	1	127.2320	0.000	1	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[6]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Ir)(N[5]C[5]C[6])	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ir)(N[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2){1|Ir<8>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Ir)(N[5]C[5]C[6]){1|C<3>,1|N<2>,1|N<3>,6|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ir)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	126.0880	0.000	1	126.0880	0.000	1	126.0375	0.005	2	126.0375	0.005	2	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[6]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6])	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Rh)(N[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2){1|Rh<8>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6]){1|C<3>,1|N<2>,1|N<3>,6|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Rh)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	125.9870	0.000	1	125.9870	0.000	1	126.0375	0.005	2	126.0375	0.005	2	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[6]	6:3:3:	3:3:3:	3:3:3:	In[5,5]-6:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6]-3:N[6]-3:	N[5](In[5,5]N[5,5]N[5,6]Cl3)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]In[5,5]C[6])(C[6a]C[6a]H)	C[6](N[5]C[5,6a]In[5,5])(C[6]C[6]H)(N[6]C[6]H)	N[5](In[5,5]N[5,5]N[5,6]Cl3)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]){1|N<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]In[5,5]C[6])(C[6a]C[6a]H){3|Cl<1>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[5]C[5,6a]In[5,5])(C[6]C[6]H)(N[6]C[6]H){3|Cl<1>,2|H<1>,2|N<3>,3|C<3>}	123.3260	0.000	1	123.3260	0.000	1	123.3260	0.000	1	123.3260	0.000	1	130.8005	5.125	43	127.0431	14.564	150
542	727	762	0:SP3_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HO)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HO)(O){1|C<4>,2|H<1>,3|C<3>}	127.1510	0.000	1	127.1510	0.000	1	127.1510	0.000	1	127.1510	0.000	1	123.0609	11.907	43	123.1164	11.439	45
542	727	762	0:SP3_SP2_SP2	N[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:C-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(CC[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]C){1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(CC[6a]H){1|H<1>,1|N<3>,4|C<3>}	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	123.0609	11.907	43	123.1164	11.439	45
542	727	762	0:SP3_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[4,5,6]C[4,5]C[4,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[4,5,6]C[4,5]C[4,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	122.6220	0.000	1	122.6220	0.000	1	123.5820	1.843	2	122.9980	12.023	41	123.0609	11.907	43	123.1164	11.439	45
542	727	762	0:SP3_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	124.5420	0.000	1	124.5420	0.000	1	123.5820	1.843	2	122.9980	12.023	41	123.0609	11.907	43	123.1164	11.439	45
542	727	762	0:SP3_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	118.2476	1.618	5	117.9277	1.083	12	117.9277	1.083	12	122.9980	12.023	41	123.0609	11.907	43	123.1164	11.439	45
542	727	762	0:SP3_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>,5|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	117.6991	0.306	7	117.9277	1.083	12	117.9277	1.083	12	122.9980	12.023	41	123.0609	11.907	43	123.1164	11.439	45
542	727	762	0:SP3_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	125.3353	1.126	19	125.2083	1.003	27	125.2083	1.003	27	122.9980	12.023	41	123.0609	11.907	43	123.1164	11.439	45
542	727	762	0:SP3_SP2_SP2	N[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	124.9068	0.565	8	125.2083	1.003	27	125.2083	1.003	27	122.9980	12.023	41	123.0609	11.907	43	123.1164	11.439	45
542	727	762	0:SP3_SP2_SP2	N[5]	C[5,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6])	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Rh)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]HH){1|Rh<8>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6]){1|N<3>,2|C<3>,6|H<1>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	124.3080	0.505	2	124.3080	0.255	2	124.3080	0.255	2	124.3080	0.255	2	124.3080	0.255	2	123.1164	11.439	45
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Ge[5]-2:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ge[5]N[5,6a])(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ge[5]C[6])	C[6](N[5,6]C[5,6,6a]Ge[5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ge[5]N[5,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ge[5]C[6]){3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]Ge[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.7950	0.000	1	118.7950	0.000	1	118.7950	0.000	1	118.7950	0.000	1	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Ga[5]-4:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ga[5]N[5,6a]OO)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6])	C[6](N[5,6]C[5,6,6a]Ga[5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ga[5]N[5,6a]OO)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6]){2|O<2>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	119.5110	0.000	1	119.5110	0.000	1	119.5110	0.000	1	119.5110	0.000	1	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:C-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C){2|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<4>,3|C<3>,6|H<1>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH){2|C<4>,2|H<1>,4|C<3>}	122.3070	0.000	1	122.5353	0.040	3	122.5353	0.040	3	122.5353	0.040	3	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:C-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C){2|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){4|C<3>,6|H<1>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH){1|C<4>,2|H<1>,5|C<3>}	122.6495	0.036	2	122.5353	0.040	3	122.5353	0.040	3	122.5353	0.040	3	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	121.9930	0.000	1	121.9930	0.000	1	121.9930	0.000	1	121.9930	0.000	1	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:5:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]H){1|H<1>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	118.7260	0.615	2	118.7260	0.378	2	118.7260	0.378	2	119.3528	0.672	4	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:5:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:In[5,6]-5:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(In[5,6]N[5,6]Se[6]2Cl)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,6]C[6])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]In[5,6])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(In[5,6]N[5,6]Se[6]2Cl)(C[6]C[6]H){1|In<4>,1|In<6>,1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,2|Se<2>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]In[5,6])(C[6]C[6]H)(H){1|Cl<1>,2|Se<2>,1|H<1>,1|N<3>,2|C<3>}	119.9795	0.260	2	119.9795	0.067	2	119.9795	0.067	2	119.3528	0.672	4	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:5:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]C)	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]C){1|H<1>,7|C<3>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	119.4350	0.000	1	119.4350	0.000	1	120.0178	0.142	8	120.0178	0.142	8	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:5:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2Cl)(C[6]C[6]C)	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2Cl)(C[6]C[6]C){1|H<1>,6|C<3>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){3|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	119.9670	0.000	1	119.9670	0.000	1	120.0178	0.142	8	120.0178	0.142	8	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:5:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2O)(C[6]C[6]C)	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2O)(C[6]C[6]C){1|H<1>,6|C<3>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,3|O<2>}	120.1233	0.341	6	120.1233	0.116	6	120.0178	0.142	8	120.0178	0.142	8	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Ga[3x5]-6:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[3x5]N[5,6]2O[5]3)(C[6]C[6]H)	C[5,6,6a](N[5,6]Ga[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Ga[3x5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[3x5]N[5,6]2O[5]3)(C[6]C[6]H){1|H<1>,9|C<3>}	C[5,6,6a](N[5,6]Ga[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6,6a]Ga[3x5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>,3|O<2>}	118.5453	0.201	3	118.5453	0.040	3	118.5453	0.040	3	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Ga[5,5]-6:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,5]N[5,6a]N[5,6]2Cl2)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,5]N[5,6a]N[5,6]2Cl2)(C[6]C[6]H){1|H<1>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,2|C<3>,3|N<3>}	118.4650	0.264	2	118.4650	0.070	2	118.4650	0.070	2	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Ga[5,5]-6:C[6]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ga[5,5]N[5,6a]N[5,6]2Cl2)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ga[5,5]N[5,6a]N[5,6]2Cl2)(C[6]C[6]H){1|H<1>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,2|C<3>,3|N<3>}	118.2910	0.000	1	118.2910	0.000	1	118.2910	0.000	1	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Ga[5,6]-6:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,6]N[5,6]O[6]2OO)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,6]C[6])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Ga[5,6])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,6]N[5,6]O[6]2OO)(C[6]C[6]H){1|H<1>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<3>,3|H<1>,3|O<2>,4|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>,3|O<2>}	119.9507	1.199	4	119.9507	1.438	4	119.9507	1.438	4	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Ga[5]-6:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ga[5]N[5,6a]F3O)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6])	C[6](N[5,6]C[5,6,6a]Ga[5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ga[5]N[5,6a]F3O)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6]){1|O<3>,3|F<1>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>,3|F<1>}	118.7040	0.000	1	118.7040	0.000	1	118.7040	0.000	1	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Ge[3x5]-6:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ge[3x5]N[5,6]C[5]O[5]3)(C[6]C[6]H)	C[5,6,6a](N[5,6]Ge[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Ge[3x5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ge[3x5]N[5,6]C[5]O[5]3)(C[6]C[6]H){2|C<4>,2|H<1>,7|C<3>}	C[5,6,6a](N[5,6]Ge[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6,6a]Ge[3x5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,3|O<2>}	119.9295	0.818	2	119.9295	0.669	2	119.9295	0.669	2	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:In[3x5]-6:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(In[3x5]N[5,6]2O[5]3)(C[6]C[6]H)	C[5,6,6a](N[5,6]In[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]In[3x5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(In[3x5]N[5,6]2O[5]3)(C[6]C[6]H){1|H<1>,9|C<3>}	C[5,6,6a](N[5,6]In[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6,6a]In[3x5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>,3|O<2>}	119.6715	0.464	6	119.6715	0.215	6	119.6715	0.215	6	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:In[5,5]-6:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(In[5,5]N[5,6a]N[5,6]2II)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]In[5,5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(In[5,5]N[5,6a]N[5,6]2II)(C[6]C[6]H){1|H<1>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6]){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]In[5,5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|I<1>,3|N<3>}	119.1840	0.805	2	119.1840	0.648	2	119.1840	0.648	2	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:In[5,5]-6:C[6]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(In[5,5]N[5,6a]N[5,6]2II)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]In[5,5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(In[5,5]N[5,6a]N[5,6]2II)(C[6]C[6]H){1|H<1>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6]){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]In[5,5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|I<1>,3|N<3>}	118.6290	0.000	1	118.6290	0.000	1	118.6290	0.000	1	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:In[5]-6:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(In[5]N[5,6]O4)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6])	C[6](N[5,6]C[5,6,6a]In[5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(In[5]N[5,6]O4)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6]){1|O<3>,3|H<1>,3|O<2>,4|C<3>}	C[6](N[5,6]C[5,6,6a]In[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>,3|O<2>}	118.1923	1.696	4	118.1923	2.878	4	118.1923	2.878	4	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:In[5]-6:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(In[5]N[5,6a]ClO3)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6])	C[6](N[5,6]C[5,6,6a]In[5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(In[5]N[5,6a]ClO3)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6]){1|Cl<1>,3|H<1>,3|O<2>,4|C<3>}	C[6](N[5,6]C[5,6,6a]In[5])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,3|O<2>}	118.9910	0.000	1	118.9910	0.000	1	118.9910	0.000	1	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Si[4,5,5]-6:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5,5]N[4]2O[5]3)(C[6]C[6]H)	C[5,6,6a](N[5,6]Si[4,5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Si[4,5,5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5,5]N[4]2O[5]3)(C[6]C[6]H){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6a](N[5,6]Si[4,5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6,6a]Si[4,5,5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>,3|O<2>}	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Br2)(C[6]C[6]H)	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Si[4,5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Br2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|Br<1>,2|C<3>,2|N<3>,4|H<1>}	C[6](N[5,6]C[5,6,6a]Si[4,5])(C[6]C[6]H)(H){2|Br<1>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	118.3310	0.000	1	118.3310	0.000	1	118.5454	0.025	5	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Cl2)(C[6]C[6]H)	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Si[4,5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Cl2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|C<3>,2|N<3>,4|H<1>}	C[6](N[5,6]C[5,6,6a]Si[4,5])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	118.4570	0.000	1	118.4570	0.000	1	118.5454	0.025	5	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H)	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Si[4,5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<2>,2|N<3>,4|H<1>}	C[6](N[5,6]C[5,6,6a]Si[4,5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<2>,2|N<3>}	118.6463	0.091	3	118.6463	0.008	3	118.5454	0.025	5	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]Cl4)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]Cl4)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){4|Cl<1>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H){4|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	118.1840	0.157	2	118.1840	0.025	2	118.1756	0.098	5	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N4)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N4)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){3|H<1>,4|C<3>,4|N<2>}	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|N<2>}	117.9360	0.199	2	117.9360	0.040	2	118.1756	0.098	5	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N[5a]2NN)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N[5a]2NN)(C[6]C[6]H){1|H<1>,4|C<3>,4|N<2>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>,3|N<3>}	118.6380	0.000	1	118.6380	0.000	1	118.1756	0.098	5	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]CF3)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]CF3)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){1|C<2>,3|F<1>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>,3|F<1>}	117.7070	0.232	2	117.7070	0.054	2	118.0687	0.201	4	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]Cl4)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]Cl4)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){4|Cl<1>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H){4|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	118.3170	0.000	1	118.3170	0.000	1	118.0687	0.201	4	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:6:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]N[5a]2NN)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]N[5a]2NN)(C[6]C[6]H){1|H<1>,4|C<3>,4|N<2>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>,3|N<3>}	118.5440	0.000	1	118.5440	0.000	1	118.0687	0.201	4	118.8241	0.876	42	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	3:7:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:Nb[3x5]-7:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Nb[3x5]N[5,6]2O[5]3O)(C[6]C[6]H)	C[5,6,6a](N[5,6]Nb[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Nb[3x5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Nb[3x5]N[5,6]2O[5]3O)(C[6]C[6]H){1|H<1>,9|C<3>}	C[5,6,6a](N[5,6]Nb[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,2|N<3>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6,6a]Nb[3x5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|O<2>}	118.3800	0.635	2	118.3800	0.403	2	118.3800	0.403	2	118.3800	0.403	2	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	6:3:3:	3:3:3:	3:3:1:	In[3x4,5,3x6]-6:C[5,6,6a]-3:C[6]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](In[3x4,5,3x6]S[3x4,3x6]3N[5,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[3x4,5,3x6]C[6])(C[6,6a]C[6a]C[6])	C[6](N[5,6]In[3x4,5,3x6]C[5,6,6a])(C[6]C[6]H)(H)	N[5,6](In[3x4,5,3x6]S[3x4,3x6]3N[5,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H){3|In<6>,1|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[3x4,5,3x6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	C[6](N[5,6]In[3x4,5,3x6]C[5,6,6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,3|S<3>}	118.9730	1.677	2	118.9730	2.813	2	118.9730	2.813	2	118.6385	0.881	17	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	6:3:3:	3:3:3:	3:3:1:	In[3x4,5,3x6]-6:C[5,6,6a]-3:C[6]-3:	N[5,6]-3:C[5,6,6a]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](In[3x4,5,3x6]S[3x4,3x6]3N[5,6]Cl)(C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[6]H)	C[5,6,6a](N[5,6]In[3x4,5,3x6]C[6])(C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])	C[6](N[5,6]In[3x4,5,3x6]C[5,6,6a])(C[6]C[6]H)(H)	N[5,6](In[3x4,5,3x6]S[3x4,3x6]3N[5,6]Cl)(C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[6]H){3|In<6>,1|H<1>,4|C<3>}	C[5,6,6a](N[5,6]In[3x4,5,3x6]C[6])(C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6]){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	C[6](N[5,6]In[3x4,5,3x6]C[5,6,6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,3|S<3>}	118.8333	0.773	12	118.8333	0.597	12	118.8333	0.597	12	118.6385	0.881	17	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	6:3:3:	3:3:3:	3:3:1:	In[4,5,6]-6:C[5,6,6a]-3:C[6]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](In[4,5,6]N[5,6a]Se[4,6]Se[4]Se[6]Cl)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[4,5,6]C[6])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]In[4,5,6])(C[6]C[6]H)(H)	N[5,6](In[4,5,6]N[5,6a]Se[4,6]Se[4]Se[6]Cl)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H){1|In<5>,2|In<4>,1|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[4,5,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|Se<3>,2|Se<2>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]In[4,5,6])(C[6]C[6]H)(H){1|Cl<1>,1|Se<3>,2|Se<2>,1|H<1>,1|N<3>,2|C<3>}	118.4580	0.000	1	118.4580	0.000	1	118.4580	0.000	1	118.6385	0.881	17	119.1099	1.441	79	119.1099	1.441	79
542	727	762	6:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[6]	6:3:3:	3:3:3:	3:3:1:	Si[3x5]-6:C[5,6,6a]-3:C[6]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Si[3x5]C[6])(C[6,6a]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]Si[3x5])(C[6]C[6]H)(H)	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H){10|C<3>,1|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Si[3x5]C[6])(C[6,6a]C[6a]C[6]){2|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]Si[3x5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|O<2>,3|N<3>}	117.2260	0.085	2	117.2260	0.007	2	117.2260	0.007	2	118.6385	0.881	17	119.1099	1.441	79	119.1099	1.441	79
542	727	770	0:SP2_SP2_SP2	N[5]	C[5,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:B-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]2)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	B(N[5]C[5,6a]C[5])3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]2){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	B(N[5]C[5,6a]C[5])3	118.8262	1.823	6	118.8262	3.325	6	118.8262	3.325	6	118.8262	3.325	6	120.9246	13.320	9	120.9246	13.320	9
542	727	770	0:SP2_SP2_SP2	N[5]	C[5,6a]	B	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:B-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(BC[6a]2)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(BC[6a]2){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,2|C<4>,2|H<1>}	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2	123.5030	0.000	1	123.5030	0.000	1	123.5030	0.000	1	123.5030	0.000	1	120.9246	13.320	9	120.9246	13.320	9
542	727	770	0:SP2_SP2_SP2	N[5]	C[5,6a]	B	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:B-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(BC[6a]C)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(BC[6a]C){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){2|C<3>,3|H<1>}	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	125.9305	2.597	2	125.9305	6.745	2	125.9305	6.745	2	125.9305	6.745	2	120.9246	13.320	9	120.9246	13.320	9
542	727	786	0:SP2_SP2_SP3	N[5,5]	C[5,6a]	B[5]	3:3:4:	3:3:3:	3:3:4:4:	C[5,6a]-3:C[5,5]-3:B[5]-4:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a]-3:N[5,5]-3:C-4:C-4:	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5])(B[5]C[5,6a]CC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,5]C[5,5]B[5])	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CH3)2	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5])(B[5]C[5,6a]CC){6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,5]C[5,5]B[5]){1|H<1>,2|C<4>,7|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CH3)2{1|H<1>,1|N<3>,4|C<3>}	142.7527	0.430	4	142.7527	0.185	4	142.7527	0.185	4	142.7527	0.185	4	141.3474	2.486	8	137.8800	38.031	11
542	727	786	0:SP2_SP2_SP3	N[5,5]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[5,5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,5]C[5,6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)2	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,5]C[5,6a]N[5]){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)2{1|N<3>,5|F<1>,8|C<3>}	139.3150	0.000	1	139.3150	0.000	1	139.3150	0.000	1	139.3150	0.000	1	141.3474	2.486	8	137.8800	38.031	11
542	727	786	0:SP2_SP2_SP3	N[5,5]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:4:3:3:	C[5,6a]-3:B[5]-4:C[5,5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,5]C[6a]2)(C[5,5]C[5,5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	B[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]Fe)(C[6a]C[6a]2)2	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,5]C[6a]2)(C[5,5]C[5,5]N[5]){1|Fe<10>,1|H<1>,3|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	B[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]Fe)(C[6a]C[6a]2)2{1|H<1>,1|N<3>,6|C<3>,6|C<4>}	140.1510	0.510	3	140.1510	0.260	3	140.1510	0.260	3	140.1510	0.260	3	141.3474	2.486	8	137.8800	38.031	11
542	727	786	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[5,6]	3:4:3:	3:3:3:	3:3:3:2:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]N[5])	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]N[5]){1|H<1>,9|C<3>}	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|N<3>,2|H<1>,8|C<3>}	129.1440	0.000	1	129.1440	0.000	1	128.6337	5.122	3	128.6337	5.122	3	128.6337	5.122	3	137.8800	38.031	11
542	727	786	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[5,6]	3:4:3:	3:3:3:	3:3:3:2:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]O[5])	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]O[5]){1|H<1>,8|C<3>}	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|O<2>,2|H<1>,8|C<3>}	130.5980	0.000	1	130.5980	0.000	1	128.6337	5.122	3	128.6337	5.122	3	128.6337	5.122	3	137.8800	38.031	11
542	727	786	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[5,6]	3:4:3:	3:3:3:	3:3:3:2:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]S[5])	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]S[5]){1|H<1>,8|C<3>}	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|S<2>,2|H<1>,8|C<3>}	126.1590	0.000	1	126.1590	0.000	1	128.6337	5.122	3	128.6337	5.122	3	128.6337	5.122	3	137.8800	38.031	11
542	727	786	5:SP2_SP2_SP3	N[5]	C[5,6a]	B[5]	3:3:4:	3:3:3:	3:4:1:1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:P[5]-4:F-1:F-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]P[5]FF)	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	B[5](N[5]C[5,6a]C[6a])(P[5]C[5,6a]CC)(F)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]P[5]FF){1|P<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	B[5](N[5]C[5,6a]C[6a])(P[5]C[5,6a]CC)(F)2{4|C<3>}	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1
542	727	790	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl)	Cl(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(Cl){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl){1|C<3>,4|H<1>}	Cl(N[5]C[5,6a]C[5])	126.1990	0.000	1	126.1990	0.000	1	126.1990	0.000	1	126.1990	0.000	1	126.1990	0.000	1	126.1990	0.000	1
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:N[5,5]-3:S[5]-2:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(C[5,5]P[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](N[5,5]C[5,6a]C[5,5])(N[5,5]C[5,6a]P[5])(S[5]C[5,6a])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(C[5,5]P[5]S[5]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|P<2>,1|S<2>,2|H<1>}	C[5,5](N[5,5]C[5,6a]C[5,5])(N[5,5]C[5,6a]P[5])(S[5]C[5,6a]){1|S<2>,4|C<3>}	131.6540	0.000	1	131.6540	0.000	1	131.6540	0.000	1	131.6540	0.000	1	131.6540	0.000	1	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,6]	3:3:7:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:Nb[5,5]-7:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6]-3:C[6]-2:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(Nb[5,5]P[5]2Cl4)	C[5,6a](N[5,5]Nb[5,5]C[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6](N[5,5]C[5,6a]Nb[5,5])(C[5,6]C[6]P[5])(C[6]C[6])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(Nb[5,5]P[5]2Cl4){1|H<1>,4|C<3>,4|C<4>}	C[5,6a](N[5,5]Nb[5,5]C[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){4|Cl<1>,1|C<2>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,5]C[5,6a]Nb[5,5])(C[5,6]C[6]P[5])(C[6]C[6]){4|Cl<1>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:Se[5]-2:N-2:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]Se[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(Se[5]N[5])(NC[6])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]Se[5]N){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[5](N[5,5]C[5,6a]C[5,5])(Se[5]N[5])(NC[6]){1|N<3>,2|C<3>}	133.4060	0.000	1	133.4060	0.000	1	133.4060	0.000	1	133.4060	0.000	1	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:N[5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]N[5,5])(N[5]C[6a]C[5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]N[5,5])(N[5]C[6a]C[5])(O){1|C<4>,6|C<3>}	121.1780	0.000	1	121.1780	0.000	1	121.1780	0.000	1	121.1780	0.000	1	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:C[5]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]Se[5]S[5])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]Se[5]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]Se[5]S[5])(C[5]C[6a]C[5]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]Se[5]H){1|S<2>,2|H<1>,4|C<3>}	132.5990	0.000	1	132.5990	0.000	1	132.5990	0.000	1	132.5990	0.000	1	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,2|C<4>}	136.3010	0.000	1	136.3010	0.000	1	136.3010	0.000	1	136.3010	0.000	1	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	128.1760	0.919	2	124.8983	9.479	6	124.8983	9.479	6	127.7630	30.699	11	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	125.3700	0.000	1	124.8983	9.479	6	124.8983	9.479	6	127.7630	30.699	11	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	124.1710	0.000	1	124.8983	9.479	6	124.8983	9.479	6	127.7630	30.699	11	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|C<4>,1|H<1>,5|C<3>}	121.7485	2.114	2	124.8983	9.479	6	124.8983	9.479	6	127.7630	30.699	11	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O){1|C<4>,2|C<3>,3|H<1>}	133.2140	1.126	2	133.4710	0.832	3	130.1900	43.614	4	127.7630	30.699	11	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O){1|C<4>,2|H<1>,3|C<3>}	133.9850	0.000	1	133.4710	0.832	3	130.1900	43.614	4	127.7630	30.699	11	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]Cl)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]Cl)(O){1|Cl<1>,1|P<4>,3|C<3>}	120.3470	0.000	1	120.3470	0.000	1	130.1900	43.614	4	127.7630	30.699	11	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:N[5]-3:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[6a]C[5])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H){3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	135.2430	0.000	1	135.2430	0.000	1	135.2430	0.000	1	127.7630	30.699	11	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]C[5,5]HH)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,6a]C[3x5])(C[5]C[5,5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	123.6350	0.000	1	123.6350	0.000	1	123.6350	0.000	1	130.5019	10.189	8	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5,6]-4:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]O){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(O){2|C<4>,3|C<3>,7|H<1>}	132.6765	0.255	2	132.6765	0.065	2	132.6765	0.065	2	130.5019	10.189	8	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	129.0170	0.000	1	129.0170	0.000	1	131.0054	3.345	5	130.5019	10.189	8	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	132.3260	0.000	1	132.3260	0.000	1	131.0054	3.345	5	130.5019	10.189	8	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]C)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]C)(O){2|C<4>,2|H<1>,4|C<3>}	129.1210	0.000	1	129.1210	0.000	1	131.0054	3.345	5	130.5019	10.189	8	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O){1|C<4>,2|C<3>,2|H<1>}	131.6200	0.000	1	131.6200	0.000	1	131.0054	3.345	5	130.5019	10.189	8	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	132.9430	0.000	1	132.9430	0.000	1	131.0054	3.345	5	130.5019	10.189	8	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-3:C-3:	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	114.4090	0.000	1	114.4090	0.000	1	114.4090	0.000	1	114.4090	0.000	1	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O){1|C<4>,1|H<1>,3|C<3>}	128.5790	0.148	2	128.5790	0.022	2	128.5790	0.022	2	127.3350	4.654	3	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5,5]-4:O-1:	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]N[5,5]C[5]H)(O)	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]N[5,5]C[5]H)(O){2|C<3>,3|C<4>,3|H<1>}	124.8470	0.000	1	124.8470	0.000	1	124.8470	0.000	1	127.3350	4.654	3	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	5:3:3:	3:3:3:	3:3:1:	Si[4,5,5]-5:C[5,6a]-3:C[5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,5a]-3:H-1:	N[5,5](Si[4,5,5]N[5,5a]C[4]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	C[5,6a](N[5,5]Si[4,5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](N[5,5]Si[4,5,5]C[5,6a])(C[5,5a]N[5,5a]C[5a])(H)	N[5,5](Si[4,5,5]N[5,5a]C[4]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](N[5,5]Si[4,5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]Si[4,5,5]C[5,6a])(C[5,5a]N[5,5a]C[5a])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	131.1315	0.499	4	131.1315	0.249	4	131.1315	0.249	4	129.1033	10.039	7	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	5:3:3:	3:3:3:	3:3:1:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,5a]-3:H-1:	N[5,5](Si[5,5]N[5,5a]C[6a]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,5a]N[5,5a]C[5a])(H)	N[5,5](Si[5,5]N[5,5a]C[6a]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){1|H<1>,6|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,5a]N[5,5a]C[5a])(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	128.2570	0.619	2	128.2570	0.384	2	128.2570	0.384	2	129.1033	10.039	7	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	5:3:3:	3:3:3:	3:3:1:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:N[5,5]-3:O-1:	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]O)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]Si[5,5])(N[5,5]N[5,5]C[5])(O)	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]O){1|H<1>,8|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](N[5,5]C[5,6a]Si[5,5])(N[5,5]N[5,5]C[5])(O){1|C<4>,1|O<2>,6|C<3>}	122.6830	0.000	1	122.6830	0.000	1	122.6830	0.000	1	129.1033	10.039	7	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5]	6:3:3:	3:3:3:	3:3:1:	Si[3x5]-6:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5,5a]-3:H-1:	N[5,5](Si[3x5]N[5,5a]2N[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5,5]Si[3x5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]Si[3x5])(C[5,5a]N[5,5a]C[5a])(H)	N[5,5](Si[3x5]N[5,5a]2N[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){11|C<3>,1|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5,5]Si[3x5]C[5])(C[6a]C[6a]H){2|N<3>,3|H<1>,5|C<3>}	C[5](N[5,5]C[5,6a]Si[3x5])(C[5,5a]N[5,5a]C[5a])(H){1|H<1>,2|N<3>,6|C<3>}	129.0094	0.462	8	129.0094	0.214	8	129.0094	0.214	8	129.0094	0.214	8	128.6930	20.693	42	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-3:N[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]N[5])	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]N[5]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){1|C<4>,1|H<1>,6|C<3>}	130.9740	0.000	1	130.9740	0.000	1	130.9740	0.000	1	130.9740	0.000	1	130.9740	0.000	1	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5,6]	C[5a,6]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5,6]-3:C[5]-3:	N[5a,6]-3:N[5,6]-3:N[5a]-2:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5a,6]N[5])(C[5]C[5]H)	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(N[5a]C[5a])	C[5](N[5,6]C[5a,6]C[5,6])(C[5]N[5]H)(H)	N[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5a,6]N[5])(C[5]C[5]H){1|Cu<5>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5a,6]C[5,6])(C[5]N[5]H)(H){1|Cu<5>,1|N<2>,2|N<3>}	129.8550	0.000	1	129.8550	0.000	1	129.8550	0.000	1	129.8550	0.000	1	129.8550	0.000	1	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:Ga[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(Ga[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(Ga[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2{1|N<3>,2|C<3>,2|C<4>}	118.2590	0.000	1	118.2590	0.000	1	118.2590	0.000	1	118.7610	0.504	2	123.7081	19.726	7	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:In[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(In[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]In[5])(N[5]C[5]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(In[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]In[5])(N[5]C[5]C)2{1|N<3>,2|C<3>,2|C<4>}	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1	118.7610	0.504	2	123.7081	19.726	7	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:Ga[5]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]N[5]Fe)(C[5]N[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]N[5]Fe)(C[5]N[5]2){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H){1|Fe<5>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2{1|Fe<5>,1|N<3>,2|C<3>,2|C<4>}	120.0210	0.000	1	120.0210	0.000	1	120.0210	0.000	1	120.0210	0.000	1	123.7081	19.726	7	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:2:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C[5]-4:C[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	127.0210	0.000	1	127.0210	0.000	1	126.4003	1.632	3	126.4003	1.632	3	123.7081	19.726	7	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:2:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C[5]-4:C[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	127.2490	0.000	1	127.2490	0.000	1	126.4003	1.632	3	126.4003	1.632	3	123.7081	19.726	7	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:2:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C[5]-4:C[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	124.9310	0.000	1	124.9310	0.000	1	126.4003	1.632	3	126.4003	1.632	3	123.7081	19.726	7	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(C[5]C[5]N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(C[5]C[5]N[5]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5]C[5,6a]){1|H<1>,1|N<3>,5|C<3>}	129.2130	0.000	1	129.2130	0.000	1	129.2130	0.000	1	129.2130	0.000	1	123.7081	19.726	7	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:2:	3:2:2:	3:3:3:	C[5a]-3:C[5]-3:N[5]-2:	N[5]-3:N[5a]-2:N[5a]-2:	N[5]-3:N[5]-3:N-3:	N[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]C[5])	C[5a](N[5]C[5]N[5])(N[5a]N[5a])2	C[5](N[5]C[5a]N[5])(N[5]C[5]N)(NHH)	N[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]C[5]){1|N<2>,3|N<3>}	C[5a](N[5]C[5]N[5])(N[5a]N[5a])2{1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5a]N[5])(N[5]C[5]N)(NHH){1|N<3>,2|N<2>}	128.1750	0.000	1	128.1750	0.000	1	128.1750	0.000	1	128.1750	0.000	1	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5a]-3:N[5a]-2:	N[5]-3:C[6a]-3:N[5]-3:	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5])	C[5a](N[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	127.3200	0.000	1	127.3200	0.000	1	127.3200	0.000	1	127.3200	0.000	1	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a]-3:C[5a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-1:	N[5](C[5a]C[5a]2)(C[5]N[5]Se)(N[5]C[5])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]N[5])	C[5](N[5]C[5a]N[5])(N[5]C[5]C)(Se)	N[5](C[5a]C[5a]2)(C[5]N[5]Se)(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]N[5]){1|Se<1>,1|N<3>,2|H<1>,5|C<3>}	C[5](N[5]C[5a]N[5])(N[5]C[5]C)(Se){1|H<1>,2|C<3>}	127.5380	0.000	1	127.5380	0.000	1	127.5380	0.000	1	127.5380	0.000	1	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-2:O[5a]-2:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[5a]N[5a]O[5a])(C[5]N[5]Pd)(C[5]C[5]H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5a]N[5a]O[5a])(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(N[5]C[5]2){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|N<2>,1|O<2>}	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1	124.3498	3.105	9	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]O)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]O)2{4|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){1|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	124.8527	1.511	6	124.7452	1.940	8	124.7452	1.940	8	124.3498	3.105	9	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]O)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]O)2{4|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	124.4230	1.373	2	124.7452	1.940	8	124.7452	1.940	8	124.3498	3.105	9	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	2:2:3:	3:4:1:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-2:S[5a]-2:N[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5a]N[5a]S[5a])(C[5]C[5]O)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O)	N[5](C[5a]N[5a]S[5a])(C[5]C[5]O)2{1|S<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2){2|C<3>,2|C<4>,2|O<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O){1|H<1>,1|N<2>,1|O<1>,2|S<2>}	123.4500	0.000	1	123.4500	0.000	1	124.0270	0.666	2	124.0270	0.666	2	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	2:2:3:	3:4:1:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-2:S[5a]-2:N[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5a]N[5a]S[5a])(C[5]C[5]O)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]C[5]HS)(O)	N[5](C[5a]N[5a]S[5a])(C[5]C[5]O)2{1|S<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2){2|C<3>,2|C<4>,2|O<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HS)(O){1|N<2>,1|O<1>,1|S<2>,2|H<1>}	124.6040	0.000	1	124.6040	0.000	1	124.0270	0.666	2	124.0270	0.666	2	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:O[5a]-2:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(C[5]N[5]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2){1|C<3>,1|N<3>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	126.3970	0.000	1	126.3970	0.000	1	126.3970	0.000	1	125.7095	13.741	19	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:O[5a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(C[5]N[5]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H)	N[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2){1|C<3>,1|N<3>,4|H<1>}	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H){1|C<3>,1|O<2>,2|H<1>}	124.2860	0.000	1	124.2860	0.000	1	124.2860	0.000	1	125.7095	13.741	19	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:S[5a]-2:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[5a]C[5a]S[5a])(C[5]N[5]Ru)(C[5]C[5]H)	C[5a](C[5a]C[5a]Ru)(S[5a]C[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5a]C[5a]S[5a])(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]Ru)(S[5a]C[5a])(N[5]C[5]2){1|C<3>,1|N<3>,3|H<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<3>,1|C<4>,1|S<2>}	134.5760	0.000	1	134.5760	0.000	1	134.5760	0.000	1	125.7095	13.741	19	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-3:N[5a]-2:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	127.0690	1.202	3	127.0690	1.445	3	123.5205	9.217	8	125.7095	13.741	19	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-3:N[5a]-2:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|H<1>,1|N<3>,1|S<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|S<1>}	121.6823	0.471	3	121.6823	0.222	3	123.5205	9.217	8	125.7095	13.741	19	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-3:N[5a]-2:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[5a]N[5a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5a]N[5a]2)(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|Se<1>,1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|Se<1>,1|C<4>,1|N<2>,1|N<3>}	120.9550	0.334	2	120.9550	0.111	2	123.5205	9.217	8	125.7095	13.741	19	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-3:N[5a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H)	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H){1|N<2>,1|N<3>,2|H<1>}	123.7390	1.294	3	123.7390	1.675	3	123.7390	1.675	3	125.7095	13.741	19	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-3:N[5a]-2:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S)	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|H<1>,1|N<3>,1|S<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S){1|N<2>,1|N<3>,2|H<1>}	128.7963	0.740	3	128.7963	0.547	3	128.7963	0.547	3	125.7095	13.741	19	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-3:N[5a]-2:N[5]-3:	N[5]-3:N[5]-3:Se-1:	N[5](C[5a]N[5a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(Se)	N[5](C[5a]N[5a]2)(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|Se<1>,1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(Se){1|N<2>,1|N<3>,2|H<1>}	128.7255	0.712	2	128.7255	0.507	2	128.7255	0.507	2	125.7095	13.741	19	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-3:N[5a]-2:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5a]N[5a]2)(C[5]C[5]Ir)(C[5]N[5]C)	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3)	N[5](C[5a]N[5a]2)(C[5]C[5]Ir)(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>}	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3){1|Ir<8>,1|H<1>,1|N<2>,1|N<3>}	131.4890	0.000	1	131.4890	0.000	1	131.1070	0.292	2	131.1070	0.292	2	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-3:N[5a]-2:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5a]N[5a]2)(C[5]C[5]Ru)(C[5]N[5]C)	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3)	N[5](C[5a]N[5a]2)(C[5]C[5]Ru)(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>}	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3){1|Ru<9>,1|H<1>,1|N<2>,1|N<3>}	130.7250	0.000	1	130.7250	0.000	1	131.1070	0.292	2	131.1070	0.292	2	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:4:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:S[5a]-2:N[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5a]C[5a]S[5a])(C[5]C[5]O)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O)	N[5](C[5a]C[5a]S[5a])(C[5]C[5]O)2{2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[5]C[5]2){1|Br<1>,1|H<1>,2|C<4>,2|O<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	123.9465	2.896	2	123.9465	8.385	2	123.9465	8.385	2	123.9465	8.385	2	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	N[5]-3:N[5a]-3:N[5a]-2:	N[5]-3:S[5]-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]S[5]N)	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5](N[5]C[5,6a]C[5a])(S[5]C[5,6a])(NH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]S[5]N){2|H<1>,4|C<3>}	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<2>,1|S<2>,4|C<3>}	C[5](N[5]C[5,6a]C[5a])(S[5]C[5,6a])(NH){1|N<2>,1|N<3>,2|C<3>}	122.3230	0.000	1	122.3230	0.000	1	122.3230	0.000	1	122.3230	0.000	1	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:	N[5]-3:C[5a]-3:N[5a]-2:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]H)	C[5a](N[5]C[5,6a]C[5])(C[5a]N[5a]H)(N[5a]N[5a])	C[5](N[5]C[5,6a]C[5a])(N[5]C[5,6a]Ir)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]H){1|Ir<8>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5]C[5,6a]C[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[5,6a]C[5a])(N[5]C[5,6a]Ir)(H){1|N<2>,3|C<3>}	125.2650	0.000	1	125.2650	0.000	1	125.2650	0.000	1	125.2650	0.000	1	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(N[5]N[5])(H)	N[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5](N[5]C[5a]C[5])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	126.5540	0.000	1	126.5540	0.000	1	126.5540	0.000	1	126.5540	0.000	1	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[5a]C[5a]2){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5]C[5]2){1|C<4>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	124.1400	1.720	2	124.1400	2.957	2	124.1400	2.957	2	125.2250	1.776	7	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[5a]C[5a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5a]C[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|N<3>,4|H<1>,5|C<3>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	126.0750	0.000	1	126.0750	0.000	1	126.0750	0.000	1	125.2250	1.776	7	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5a]C[5a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H)	N[5](C[5a]C[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|N<3>,4|H<1>,5|C<3>}	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	125.5890	0.000	1	125.5890	0.000	1	126.3100	1.040	2	125.2250	1.776	7	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(N[5]N[5]C)(H)	N[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5](N[5]C[5a]C[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	127.0310	0.000	1	127.0310	0.000	1	126.3100	1.040	2	125.2250	1.776	7	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-3:C[5a]-3:N[5]-3:	N[5]-3:C[5]-3:O-1:	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]C[5]H)(O)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<2>,2|O<1>,4|C<3>}	C[5](N[5]C[5a]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	124.8000	0.931	2	124.8000	0.866	2	124.8000	0.866	2	125.2250	1.776	7	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:N[5a]-3:N[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,2|O<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	123.6705	0.889	2	123.6705	0.790	2	123.6705	0.790	2	123.6705	0.790	2	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	2:2:3:	3:3:1:	C[5a]-3:C[5]-4:C[5]-3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){4|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	124.4690	0.000	1	124.4690	0.000	1	124.4690	0.000	1	124.7503	0.138	3	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	2:2:3:	3:3:1:	C[5a]-3:C[5]-4:C[5]-3:	N[5a]-2:S[5a]-2:N[5]-3:	N[5]-3:N[5]-3:O-1:	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(O)	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(O){1|N<2>,1|S<2>,4|H<1>}	125.1720	0.000	1	125.1720	0.000	1	124.8910	0.158	2	124.7503	0.138	3	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	2:2:3:	3:3:1:	C[5a]-3:C[5]-4:C[5]-3:	N[5a]-2:S[5a]-2:N[5]-3:	N[5]-3:N[5]-3:O-1:	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HO)(C[5]N[5]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(N[5]C[6a]C[5])(O)	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HO)(C[5]N[5]O){1|H<1>,1|O<2>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](N[5]C[5a]C[5])(N[5]C[6a]C[5])(O){1|N<2>,1|S<2>,2|C<3>,2|H<1>,2|O<2>}	124.6100	0.000	1	124.6100	0.000	1	124.8910	0.158	2	124.7503	0.138	3	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	2:2:3:	3:4:1:	C[5a]-3:C[5]-4:C[5]-3:	N[5a]-2:S[5a]-2:N[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]O)	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O)	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O){1|N<2>,1|S<2>,4|H<1>}	123.5420	0.100	2	123.5420	0.010	2	122.6139	0.505	10	122.6139	0.505	10	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	2:2:3:	3:4:1:	C[5a]-3:C[5]-4:C[5]-3:	N[5a]-2:S[5a]-2:N[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]S[5]H)(C[5]C[5]O)	C[5a](N[5a]N[5a])(S[5a]C[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]S[5]HH)(O)	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]S[5]H)(C[5]C[5]O){1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](N[5]C[5a]C[5])(C[5]S[5]HH)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	122.3819	0.583	8	122.3819	0.340	8	122.6139	0.505	10	122.6139	0.505	10	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	3:2:3:	3:2:1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-2:N[5]-3:	N[5]-3:O[5]-2:O-1:	N[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(O[5]C[5])(O)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[5]C[5a]C[5])(O[5]C[5])(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	122.8115	1.210	2	122.8115	1.464	2	122.7653	0.738	3	123.0310	0.774	4	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	3:2:3:	3:2:1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-2:N[5]-3:	N[5]-3:O[5]-2:O-1:	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(O[5]C[5])(O)	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(N[5]C[5]2){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](N[5]C[5a]C[5])(O[5]C[5])(O){1|N<2>,2|C<3>,3|H<1>}	122.6730	0.000	1	122.6730	0.000	1	122.7653	0.738	3	123.0310	0.774	4	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	3:2:3:	3:2:1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:O[5a]-2:N[5]-3:	N[5]-3:O[5]-2:O-1:	N[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(O[5]C[5])(O)	N[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5]C[5a]C[5])(O[5]C[5])(O){1|O<2>,2|H<1>,3|C<3>}	123.8280	0.000	1	123.8280	0.000	1	123.8280	0.000	1	123.0310	0.774	4	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	3:2:3:	3:3:2:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-2:N[5]-3:	C[5,6a]-3:N[5]-3:N-2:	N[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(NC[5a])	N[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(NC[5a]){1|N<2>,3|C<3>,3|H<1>}	126.7530	0.000	1	126.7530	0.000	1	126.7530	0.000	1	126.7530	0.000	1	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	3:2:3:	3:4:1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-2:N[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]O)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(N[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O){1|C<3>,1|N<2>,4|H<1>}	121.5180	0.000	1	121.5180	0.000	1	121.5180	0.000	1	121.5180	0.000	1	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	3:3:3:	3:2:1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a,6a]-3:C[5a]-3:N[5]-3:	N[5]-3:O[5]-2:O-1:	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(O[5]C[5])(O)	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](N[5]C[5a]C[5])(O[5]C[5])(O){2|C<3>,4|H<1>}	122.4980	0.000	1	122.7070	0.087	2	122.7070	0.087	2	122.7684	0.579	5	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	3:3:3:	3:2:1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a,6a]-3:C[5a]-3:N[5]-3:	N[5]-3:O[5]-2:O-1:	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(O[5]C[5])(O)	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](N[5]C[5a]C[5])(O[5]C[5])(O){2|C<3>,4|H<1>}	122.9160	0.000	1	122.7070	0.087	2	122.7070	0.087	2	122.7684	0.579	5	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	3:3:3:	3:2:1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-3:N[5]-3:	N[5]-3:O[5]-2:O-1:	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(O[5]C[5])(O)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]C[5a]C[5])(O[5]C[5])(O){1|C<3>,1|N<3>,4|H<1>}	122.8093	1.052	3	122.8093	1.107	3	122.8093	1.107	3	122.7684	0.579	5	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	4:3:3:	3:2:2:	3:3:1:	C[5,6]-4:C[5a]-3:C[5]-3:	N[5]-3:N[5a]-2:S[5a]-2:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O)	C[5a](N[5]C[5,6]C[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5a])(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O){8|C<3>}	C[5a](N[5]C[5,6]C[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5a])(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	123.8273	0.594	3	123.8273	0.353	3	123.7255	0.277	4	123.7255	0.277	4	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	4:3:3:	3:2:2:	3:3:1:	C[5,6]-4:C[5a]-3:C[5]-3:	N[5]-3:N[5a]-2:S[5a]-2:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O)	C[5a](N[5]C[5,6]C[5])(N[5a]N[5a])(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5a])(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O){1|N<2>,7|C<3>}	C[5a](N[5]C[5,6]C[5])(N[5a]N[5a])(S[5a]C[5a]){1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5a])(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	123.4200	0.000	1	123.4200	0.000	1	123.7255	0.277	4	123.7255	0.277	4	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	4:3:3:	3:3:2:	3:4:1:	C[5,6]-4:C[5a]-3:C[5]-3:	N[5a]-3:N[5]-3:N[5a]-2:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6]C[6]2O[5])(C[5a]N[5a]2)(C[5]C[5]O)	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a])	C[5](N[5]C[5,6]C[5a])(C[5]O[5]HH)(O)	N[5](C[5,6]C[6]2O[5])(C[5a]N[5a]2)(C[5]C[5]O){1|N<2>,4|C<3>,4|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a]){1|C<4>,1|O<1>,1|O<2>,5|C<3>}	C[5](N[5]C[5,6]C[5a])(C[5]O[5]HH)(O){1|N<2>,1|N<3>,2|C<3>}	122.2190	0.000	1	122.2190	0.000	1	122.2190	0.000	1	122.2190	0.000	1	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5a]-3:C[5]-3:	N[5a]-3:C[5a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	N[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]N[5a])(C[5]C[5,6a]O){1|H<1>,1|N<2>,6|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|N<3>,2|H<1>,4|C<3>}	124.5470	0.000	1	124.5470	0.000	1	124.5470	0.000	1	124.5470	0.000	1	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5,5]-4:C[5a]-3:C[5]-3:	N[5]-3:C[5a]-3:C[5a]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5a]C[5a]2)(C[5]C[5]O)	C[5a](N[5]C[5,5]C[5])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5](N[5]C[5,5]C[5a])(C[5]S[5]HH)(O)	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5a]C[5a]2)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|N<3>}	C[5a](N[5]C[5,5]C[5])(C[5a]N[5a]C)(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[5](N[5]C[5,5]C[5a])(C[5]S[5]HH)(O){4|C<3>}	118.8740	0.000	1	118.8740	0.000	1	118.8740	0.000	1	121.9713	7.549	3	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP2_SP2_SP2	N[5]	C[5a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5]-4:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:N[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5]C[6a]S[5]H)(C[5a]C[5a]2)(C[5]C[5]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(C[5]S[5]HH)(O)	N[5](C[5]C[6a]S[5]H)(C[5a]C[5a]2)(C[5]C[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](N[5]C[5a]C[5])(C[5]S[5]HH)(O){1|H<1>,3|C<3>}	123.5200	0.841	2	123.5200	0.708	2	123.5200	0.708	2	121.9713	7.549	3	124.5011	7.162	82	125.8172	17.290	135
542	727	818	0:SP3_SP2_SP2	N[5,5,6]	C[5,6a]	C[5,6]	4:3:3:	3:3:3:	3:4:1:	C[3x5,6,6]-4:C[5,6a]-3:C[5,6]-3:	N[5,5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,5,6]-3:C[5,5,6]-4:O-1:	N[5,5,6](C[3x5,6,6]C[3,5,6]C[5,6,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]O)	C[5,6a](N[5,5,6]C[3x5,6,6]C[5,6])(C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)	C[5,6](N[5,5,6]C[3x5,6,6]C[5,6a])(C[5,5,6]C[5,6]O[5,5]C)(O)	N[5,5,6](C[3x5,6,6]C[3,5,6]C[5,6,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]O){2|H<1>,3|C<3>,4|C<4>}	C[5,6a](N[5,5,6]C[3x5,6,6]C[5,6])(C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](N[5,5,6]C[3x5,6,6]C[5,6a])(C[5,5,6]C[5,6]O[5,5]C)(O){2|C<3>,2|C<4>,2|H<1>}	129.0220	0.000	1	129.0220	0.000	1	129.0220	0.000	1	129.0220	0.000	1	129.0220	0.000	1	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:N[5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O){1|H<1>,2|C<4>,3|C<3>}	120.9315	3.371	2	122.0887	9.698	3	122.0887	9.698	3	124.6634	9.356	16	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:N[5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O){1|H<1>,2|C<4>,3|C<3>}	124.4030	0.000	1	122.0887	9.698	3	122.0887	9.698	3	124.6634	9.356	16	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	126.7270	0.000	1	124.7514	1.838	8	124.5546	1.957	9	124.6634	9.356	16	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	125.3905	0.360	2	124.7514	1.838	8	124.5546	1.957	9	124.6634	9.356	16	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	124.2270	0.000	1	124.7514	1.838	8	124.5546	1.957	9	124.6634	9.356	16	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|C<4>,1|H<1>,5|C<3>}	123.1680	1.573	2	124.7514	1.838	8	124.5546	1.957	9	124.6634	9.356	16	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	124.9700	0.400	2	124.7514	1.838	8	124.5546	1.957	9	124.6634	9.356	16	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]P)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]P)(C[5]C[5,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,1|P<4>,5|C<3>}	122.9800	0.000	1	122.9800	0.000	1	124.5546	1.957	9	124.6634	9.356	16	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]Cl)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]Cl)(O){1|Cl<1>,1|P<4>,3|C<3>}	120.3390	0.000	1	120.3390	0.000	1	120.3390	0.000	1	124.6634	9.356	16	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:N[5]-3:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[5]C)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	128.7730	0.000	1	128.7730	0.000	1	130.0620	3.323	2	124.6634	9.356	16	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:N[5]-3:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[5]C[6])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[5]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	131.3510	0.000	1	131.3510	0.000	1	130.0620	3.323	2	124.6634	9.356	16	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a]-3:N[5,5]-3:O-1:	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O){1|O<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5]){1|O<2>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,1|O<2>,5|C<3>}	126.8950	0.000	1	126.8950	0.000	1	126.8950	0.000	1	124.6634	9.356	16	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]C[5,5]HH)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,6a]C[3x5])(C[5]C[5,5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	123.1090	0.000	1	123.1090	0.000	1	123.1090	0.000	1	126.4780	5.462	5	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O){1|H<1>,1|O<2>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	125.7620	0.000	1	125.7620	0.000	1	127.3203	2.553	4	126.4780	5.462	5	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O){1|C<4>,2|C<3>,2|H<1>}	129.5500	0.000	1	129.5500	0.000	1	127.3203	2.553	4	126.4780	5.462	5	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	126.8530	0.000	1	126.9845	0.035	2	127.3203	2.553	4	126.4780	5.462	5	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O){1|H<1>,2|C<3>,2|C<4>}	127.1160	0.000	1	126.9845	0.035	2	127.3203	2.553	4	126.4780	5.462	5	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:	N[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[3x5])(O)	N[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[3x5])(O){1|H<1>,2|C<4>,4|C<3>}	122.0230	0.000	1	122.0230	0.000	1	122.0230	0.000	1	120.7696	21.187	5	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-3:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5]H)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5]H)(H){1|N<3>,2|C<3>,2|C<4>}	117.8900	1.370	3	117.8900	1.877	3	117.8900	1.877	3	120.7696	21.187	5	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|C<4>,1|H<1>,5|C<3>}	128.1550	0.000	1	128.1550	0.000	1	128.1550	0.000	1	120.7696	21.187	5	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-3:C-3:	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	114.6565	0.397	2	114.6565	0.157	2	114.6565	0.157	2	114.6565	0.157	2	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|F<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O){1|C<4>,1|H<1>,3|C<3>}	129.4980	0.000	1	127.6010	7.197	2	127.6010	7.197	2	128.2680	3.438	4	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O){1|C<4>,1|H<1>,3|C<3>}	125.7040	0.000	1	127.6010	7.197	2	127.6010	7.197	2	128.2680	3.438	4	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5,6]-4:O-1:	N[5,5](C[5,5]C[5,6]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(O)	N[5,5](C[5,5]C[5,6]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	129.7530	0.000	1	129.7530	0.000	1	129.7530	0.000	1	128.2680	3.438	4	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(O)	N[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(O){1|N<3>,2|H<1>,3|C<3>}	128.1170	0.000	1	128.1170	0.000	1	128.1170	0.000	1	128.2680	3.438	4	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:O-1:	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<2>,2|F<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|F<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(N[5,5]C[5,6a]C[5,5])(O){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	126.2545	0.991	2	126.2545	0.981	2	126.2545	0.981	2	126.2545	0.981	2	124.2867	18.277	34	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:2:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C[5]-4:C[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-4:C[5]-3:	N[5a]-3:N[5a]-2:N[5]-3:	N[5]-3:N[5]-3:O-1:	N[5](C[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(N[5]C[5]S)(O)	N[5](C[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(N[5]C[5]2){1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5](N[5]C[5a]C[5])(N[5]C[5]S)(O){1|N<2>,1|N<3>,4|H<1>}	122.4050	0.000	1	122.4050	0.000	1	122.4050	0.000	1	122.4050	0.000	1	121.2520	2.659	2	124.1666	17.744	38
542	727	818	0:SP3_SP2_SP2	N[5]	C[5a]	C[5]	3:4:3:	3:3:3:	3:2:1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-3:N[5]-3:	N[5]-3:O[5]-2:O-1:	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2)	C[5](N[5]C[5a]C[5])(O[5]C[5])(O)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]C[5a]C[5])(O[5]C[5])(O){1|C<3>,1|N<3>,4|H<1>}	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	121.2520	2.659	2	124.1666	17.744	38
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,5]-3:P[5]-2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:N[5,5]-3:S[5]-2:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(P[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	C[5,5](N[5,5]C[5,6a]C[5,5])(N[5,5]C[5,6a]P[5])(S[5]C[5,6a])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(P[5]C[5,5]){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,6a]C[5,5])(N[5,5]C[5,6a]P[5])(S[5]C[5,6a]){1|S<2>,4|C<3>}	111.5610	0.000	1	111.5610	0.000	1	111.5610	0.000	1	111.5610	0.000	1	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:N[5]-3:N[5]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](N[5,5]C[5,6a]N[5])(N[5]C[5,6a]C)(N[5]C[5]Cu)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(N[5]C[5]){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,6a]N[5])(N[5]C[5,6a]C)(N[5]C[5]Cu){1|H<1>,2|C<3>}	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:S[5]-2:P[5]-2:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(C[5,5]P[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](N[5,5]C[5,6a]C[5,5])(S[5]C[5,6a])(P[5]N[5,5])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(C[5,5]P[5]S[5]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|P<2>,1|S<2>,2|H<1>}	C[5,5](N[5,5]C[5,6a]C[5,5])(S[5]C[5,6a])(P[5]N[5,5]){1|S<2>,3|C<3>}	115.6080	0.000	1	115.6080	0.000	1	115.6080	0.000	1	114.4060	2.890	2	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:S[5]-2:Se[5]-2:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]Se[5]S[5])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(Se[5]C[5])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]Se[5]S[5])(C[5]C[6a]C[5]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(Se[5]C[5]){1|H<1>,3|C<3>}	113.2040	0.000	1	113.2040	0.000	1	113.2040	0.000	1	114.4060	2.890	2	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:N[5]-3:N[5]-2:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]Se[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(N[5]Se[5])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]Se[5]N){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(N[5]Se[5]){1|N<2>,2|C<3>}	110.1870	0.000	1	110.1870	0.000	1	110.1870	0.000	1	110.1870	0.000	1	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	B[5]-4:N[5,5]-3:N[5]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5])	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C){8|C<3>}	112.6540	0.000	1	112.6540	0.000	1	111.8675	0.840	4	111.8675	0.840	4	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	B[5]-4:N[5,5]-3:N[5]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5])	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5]){3|H<1>,6|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]H){8|C<3>}	112.6680	0.000	1	112.6680	0.000	1	111.8675	0.840	4	111.8675	0.840	4	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	B[5]-4:N[5,5]-3:N[5]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5])	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C){8|C<3>}	111.0580	0.000	1	111.0580	0.000	1	111.8675	0.840	4	111.8675	0.840	4	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	B[5]-4:N[5,5]-3:N[5]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5])	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5]){3|H<1>,6|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]H){8|C<3>}	111.0900	0.000	1	111.0900	0.000	1	111.8675	0.840	4	111.8675	0.840	4	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:S[5]-2:N[5]-2:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]S[5])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(N[5]C[5])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]S[5])(C[5]C[5]CH){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	115.9200	0.000	1	115.9200	0.000	1	115.9200	0.000	1	115.9200	0.000	1	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:B[5]-4:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a]-3:N[5,5]-3:N[5]-3:	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5])(B[5]C[5,6a]CC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,5]C[5,5]B[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C[6a])	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5])(B[5]C[5,6a]CC){6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,5]C[5,5]B[5]){1|H<1>,2|C<4>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	106.6442	0.297	4	106.6442	0.088	4	106.6442	0.088	4	107.3736	2.726	5	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:N[5]-3:C[5]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5,5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5,5]HH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C){2|C<3>,2|H<1>,2|N<3>}	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	107.3736	2.726	5	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:N[5]-3:C[5]-4:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]Cu)(C[5]C[5]2O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH){1|Cu<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Cu<4>,1|C<3>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]Cu)(C[5]C[5]2O){2|C<3>,2|N<3>,4|H<1>}	107.9370	0.000	1	107.9370	0.000	1	108.7035	1.175	2	108.7035	1.175	2	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5]-3:N[5]-3:C[5]-4:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.4700	0.000	1	109.4700	0.000	1	108.7035	1.175	2	108.7035	1.175	2	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:B[5]-4:C[5,5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:N[5]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,5]C[5,6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,5]C[5,6a]N[5]){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C){1|F<1>,6|C<3>}	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	3:4:3:	3:3:3:	4:3:3:	C[5,6a]-3:B[5]-4:C[5,5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:N[5,5]-3:N[5]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,5]C[6a]2)(C[5,5]C[5,5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,5]C[6a]2)(C[5,5]C[5,5]N[5]){1|Fe<10>,1|H<1>,3|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C){1|H<1>,2|C<4>,4|C<3>}	106.9713	0.337	3	106.9713	0.113	3	106.9713	0.113	3	106.9713	0.113	3	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	5:3:3:	3:3:3:	3:3:2:	Ga[5,5]-5:C[5,6a]-3:C[5,5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6]-3:O[5]-2:	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5])	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(O[5]C[5,6a])	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]){1|H<1>,6|C<3>}	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(O[5]C[5,6a]){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	105.5030	0.331	2	105.5030	0.110	2	105.5030	0.110	2	105.5030	0.110	2	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,5]	C[5,6a]	C[5,5]	5:3:3:	3:3:3:	3:3:3:	Ga[5,5]-5:C[5,6a]-3:C[5,5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:C[5,6]-3:N[5]-3:	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C)	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	106.5948	0.130	4	106.5948	0.017	4	106.5948	0.017	4	106.5948	0.017	4	109.0544	9.281	27	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,5a]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,5a]-3:C[5,6]-3:B[6]-4:	C[5,5a]-3:N[5,6]-3:S[5a]-2:	C[6,6a]-3:N[5,6]-3:S[5]-2:	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[5,5a](C[5,5a]N[5a,6]S[5])(N[5,6]C[5,6]B[6])(S[5a]C[5a,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a])	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|N<3>,7|C<3>}	C[5,5a](C[5,5a]N[5a,6]S[5])(N[5,6]C[5,6]B[6])(S[5a]C[5a,6]){1|B<4>,1|O<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a]){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	110.7950	0.138	3	110.7950	0.019	3	110.7950	0.019	3	110.7950	0.019	3	109.9428	2.918	4	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,5a]	C[5,6]	4:3:3:	3:3:2:	3:3:4:	C[5,6,6]-4:C[5,5a]-3:C[5,6]-3:	N[5,6]-3:N[5,5a]-3:S[5a]-2:	N[5,6]-3:C[5]-3:C[6]-4:	N[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5a]N[5,5a]S[5a])(C[5,6]C[5]C[6])	C[5,5a](N[5,6]C[5,6,6]C[5,6])(N[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5,6](N[5,6]C[5,6,6]C[5,5a])(C[5]N[5,5a]N)(C[6]O[6]HH)	N[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5a]N[5,5a]S[5a])(C[5,6]C[5]C[6]){1|N<3>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,5a](N[5,6]C[5,6,6]C[5,6])(N[5,5a]C[5a]C[5])(S[5a]C[5a]){1|N<3>,2|C<3>,4|C<4>}	C[5,6](N[5,6]C[5,6,6]C[5,5a])(C[5]N[5,5a]N)(C[6]O[6]HH){1|C<3>,1|S<2>,3|C<4>}	107.3860	0.000	1	107.3860	0.000	1	107.3860	0.000	1	107.3860	0.000	1	109.9428	2.918	4	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[5]	3:3:4:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[5,5]-4:O-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,5]O)(C[6]C[6]CC)	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5](N[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]C[5]2)(O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,5]O)(C[6]C[6]CC){2|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|H<1>,1|O<2>,2|O<1>,5|C<4>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]C[5]2)(O){2|C<3>,2|H<1>,7|C<4>}	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	110.4172	0.446	8	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6a]-3:N[5,6]-3:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[5a,6]HH)(C[5]C[5]O)	C[5,6,6a](C[6,6a]C[5a,6]C[6a])(C[5,6a]C[6a]C[5])(N[5,6]C[5]C[6])	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,4|C<3>}	C[5,6,6a](C[6,6a]C[5a,6]C[6a])(C[5,6a]C[6a]C[5])(N[5,6]C[5]C[6]){1|S<2>,2|C<3>,2|O<1>,4|H<1>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(O){2|H<1>,3|C<3>}	109.9755	0.206	4	109.9755	0.042	4	109.9755	0.042	4	109.9755	0.042	4	110.4172	0.446	8	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(O){1|H<1>,2|C<3>,2|C<4>}	110.7970	0.000	1	110.7970	0.000	1	111.1653	0.155	3	111.1653	0.155	3	110.4172	0.446	8	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CN)(O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CN)(O){1|C<4>,2|C<3>,2|H<1>}	111.5810	0.000	1	111.5810	0.000	1	111.1653	0.155	3	111.1653	0.155	3	110.4172	0.446	8	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CO)(O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CO)(O){1|C<4>,2|C<3>,2|H<1>}	111.1180	0.000	1	111.1180	0.000	1	111.1653	0.155	3	111.1653	0.155	3	110.4172	0.446	8	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6,6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(O[6]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]O[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]O[6])(C[6,6]C[6,6]C[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(O[6]C[5,6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]O[6])(C[6,6]C[6,6]C[6])(S[5]C[5,6a]){1|C<4>,1|O<1>,4|C<3>}	117.7550	1.568	2	117.7550	2.460	2	117.7550	2.460	2	117.7550	2.460	2	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:N[6a]-2:	C[5a,6]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5a,6]N[5])(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(N[6a]C[6a])	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5a,6]N[5])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<2>,2|C<4>,4|C<3>}	106.1680	0.000	1	106.1680	0.000	1	106.1680	0.000	1	106.1680	0.000	1	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:B[6]-3:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:S[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]N[5])(C[5,6]S[5]S[6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(S[6]C[5a,6])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]N[5])(C[5,6]S[5]S[6]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(S[6]C[5a,6]){1|S<2>,2|C<3>,2|N<3>}	110.6600	0.912	2	110.6600	0.832	2	110.6600	0.832	2	110.9166	7.500	9	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:O[5]-2:O[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O){1|Si<5>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6]){1|O<1>,1|O<2>,2|N<3>,3|C<3>}	107.9160	0.276	2	107.7297	0.142	3	107.7297	0.142	3	110.9166	7.500	9	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:O[5]-2:O[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O){1|Si<6>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6]){1|O<1>,1|O<2>,3|C<3>,3|N<3>}	107.3570	0.000	1	107.7297	0.142	3	107.7297	0.142	3	110.9166	7.500	9	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	111.9950	0.000	1	111.9950	0.000	1	113.1910	1.101	3	110.9166	7.500	9	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	113.9570	0.000	1	113.7890	0.056	2	113.1910	1.101	3	110.9166	7.500	9	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	113.6210	0.000	1	113.7890	0.056	2	113.1910	1.101	3	110.9166	7.500	9	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]S[5])	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6,6a])(S[5]C[5,6a])(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]S[5]){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6,6a])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	114.1670	0.000	1	114.1670	0.000	1	114.1670	0.000	1	110.9166	7.500	9	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:O[5]-2:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	108.4260	0.000	1	108.4260	0.000	1	108.4260	0.000	1	111.1545	14.889	2	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.8830	0.000	1	113.8830	0.000	1	113.8830	0.000	1	111.1545	14.889	2	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:N[5]-3:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]N[6])	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6,6a])(N[5]C[5,6a]C)(N[6]S[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]N[6]){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6,6a])(N[5]C[5,6a]C)(N[6]S[6]){2|O<1>,4|C<3>}	108.1950	0.000	1	108.1950	0.000	1	108.1950	0.000	1	108.1950	0.000	1	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H){2|H<1>,3|C<3>}	110.1520	0.018	2	110.1520	0.000	2	110.1520	0.000	2	109.1900	1.379	6	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a]Pt)(C[5]C[5,6a]O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]O){1|Pt<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a]Pt)(C[5]C[5,6a]O){1|O<1>,4|C<3>}	109.2380	0.617	3	109.2380	0.381	3	109.2380	0.381	3	109.1900	1.379	6	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5a,6a]-3:C[5,6a]-3:N[5,6]-3:	N[5,6]-3:N[5]-3:C[6]-3:	N[5,6](C[5,6a]C[5a,6a]C[5,6a])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5,6]C[5,6]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cu)(C[6]C[6]H)	N[5,6](C[5,6a]C[5a,6a]C[5,6a])(C[5,6]C[6]N[5])(C[6]C[6]H){1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5,6]C[5,6]C[6]){1|Cu<4>,1|H<1>,2|N<2>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cu)(C[6]C[6]H){2|H<1>,3|C<3>}	107.1220	0.000	1	107.1220	0.000	1	107.1220	0.000	1	109.1900	1.379	6	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|C<2>,1|N<2>,3|C<3>}	109.9610	0.000	1	109.5250	0.380	2	109.4340	0.215	3	109.4340	0.215	3	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|C<2>,1|N<3>,3|C<3>}	109.0890	0.000	1	109.5250	0.380	2	109.4340	0.215	3	109.4340	0.215	3	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.2520	0.000	1	109.2520	0.000	1	109.4340	0.215	3	109.4340	0.215	3	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[6]-2:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]N[5a,6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(N[6]C[5a,6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(N[6]C[5a,6])(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	112.8970	0.000	1	112.8970	0.000	1	112.8970	0.000	1	113.8049	0.991	20	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]F)	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]F){1|C<3>,1|N<2>,1|O<2>,4|F<1>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(N[6]C[6]){1|O<2>,2|F<1>,3|C<3>}	112.7560	0.000	1	112.7560	0.000	1	113.2508	0.170	13	113.8049	0.991	20	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(N[6]C[6]){1|O<2>,2|F<1>,3|C<3>}	113.2920	0.402	12	113.2920	0.161	12	113.2508	0.170	13	113.8049	0.991	20	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[6]-2:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6a]CH)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a])(S[5]C[5,6a]){1|C<4>,1|H<1>,4|C<3>}	115.2570	0.167	2	115.2570	0.028	2	115.2570	0.028	2	113.8049	0.991	20	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6]HH)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6,6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6,6]){2|H<1>,4|C<3>}	115.3765	0.309	2	115.3765	0.095	2	115.1065	0.315	4	113.8049	0.991	20	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	115.3650	0.000	1	115.3650	0.000	1	115.1065	0.315	4	113.8049	0.991	20	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HN)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HN){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	114.3080	0.000	1	114.3080	0.000	1	115.1065	0.315	4	113.8049	0.991	20	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:O[5]-2:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(O[5]C[5,6a])(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(B[6]O[6]FF){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(O[5]C[5,6a])(C[6]C[6]H){1|O<2>,2|F<1>,3|C<3>}	107.4933	0.226	6	107.4933	0.051	6	107.4933	0.051	6	111.2339	8.553	17	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>}	113.1222	0.508	6	113.1222	0.258	6	113.0206	0.194	9	111.2339	8.553	17	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]N[6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]N[6]C){1|N<3>,2|C<3>,2|F<1>}	112.7790	0.000	1	112.7790	0.000	1	113.0206	0.194	9	111.2339	8.553	17	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H){1|O<2>,2|F<1>,3|C<3>}	112.8365	0.278	2	112.8365	0.077	2	113.0206	0.194	9	111.2339	8.553	17	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	115.4420	0.000	1	115.4420	0.000	1	115.4420	0.000	1	111.2339	8.553	17	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:N[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	113.3900	0.000	1	113.3900	0.000	1	113.3900	0.000	1	111.2339	8.553	17	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:O[5]-2:C[6]-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]HH)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	107.9093	1.624	4	107.9093	2.636	4	107.9093	2.636	4	107.9093	2.636	4	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6]-3:N[5,6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]N[5a,6]OO)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](C[6,6]C[5a,6,6]C[6])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]N[5a,6]OO){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[6,6]C[5a,6,6]C[6])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|N<3>,2|O<2>,4|C<3>}	111.0240	0.000	1	111.0240	0.000	1	111.0240	0.000	1	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	106.6055	0.336	2	106.6055	0.113	2	106.9649	0.325	10	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]FF)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	106.4360	0.000	1	106.4360	0.000	1	106.9649	0.325	10	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]OO)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]OO){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	105.9830	0.000	1	105.9830	0.000	1	106.9649	0.325	10	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	107.4024	0.295	5	107.4024	0.087	5	106.9649	0.325	10	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]O[6]FF){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	107.0070	0.000	1	107.0070	0.000	1	106.9649	0.325	10	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2C[6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2C[6]){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|C<4>,1|H<1>,6|C<3>}	111.5750	0.000	1	111.5750	0.000	1	112.1883	0.166	7	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	112.2276	0.331	5	112.2276	0.110	5	112.1883	0.166	7	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]N[5a,6]CC)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<2>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	112.6050	0.000	1	112.6050	0.000	1	112.1883	0.166	7	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6,6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(C[6,6]C[6,6]N[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]O[6]FF){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6,6]C[6,6]N[6])(S[5]C[5,6a]){1|O<2>,2|C<3>,2|F<1>,2|N<3>}	111.9650	0.231	2	111.9650	0.053	2	111.9650	0.053	2	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]C)(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]C)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	111.4860	0.000	1	111.4860	0.000	1	112.5314	0.434	14	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]H)(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]H)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	112.3730	0.000	1	112.3730	0.000	1	112.5314	0.434	14	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5a,6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5a,6]C)(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5a,6]FF){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5a,6]C)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	112.6580	0.000	1	112.6580	0.000	1	112.5314	0.434	14	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6,6]C)(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6,6]C)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	112.3237	0.251	6	112.3237	0.063	6	112.5314	0.434	14	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a]){1|N<3>,2|F<1>,5|C<3>}	112.7795	1.371	2	112.7795	1.880	2	112.5314	0.434	14	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a]){1|O<2>,2|F<1>,5|C<3>}	113.1403	0.638	3	113.1403	0.407	3	112.5314	0.434	14	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[5]-3:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(B[6]N[5,6]FF)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(N[6]C[5,6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(B[6]N[5,6]FF){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|F<1>,3|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(N[6]C[5,6]){1|N<3>,2|F<1>,3|C<3>}	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:O[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]O[5])(B[6]C[6,6a]Cl2)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]O[5])(B[6]C[6,6a]Cl2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){2|Cl<1>,1|H<1>,5|C<3>}	104.8380	0.000	1	104.8380	0.000	1	104.8380	0.000	1	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5]-3:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(N[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(N[6]C[6,6a]){1|H<1>,5|C<3>}	109.4230	0.327	2	109.4230	0.107	2	109.4230	0.107	2	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[5]-3:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]S[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]S[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(Ga[6]O[6]CC)	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]Ga[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(Ga[6]O[6]CC){1|H<1>,4|C<3>}	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]Ga[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	106.7420	0.000	1	106.7420	0.000	1	106.7420	0.000	1	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6]-3:O[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC)	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	105.7850	0.027	2	105.7850	0.001	2	106.1093	0.339	6	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6]-3:O[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC)	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC){2|H<1>,4|C<3>}	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	106.2715	0.678	4	106.2715	0.460	4	106.1093	0.339	6	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:S[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[5]-3:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(S[6]C[6,6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a,6a]H)	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(S[6]C[6,6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,1|N<2>,2|O<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a]){2|O<1>,4|C<3>}	108.3730	0.000	1	108.3730	0.000	1	108.9265	0.613	2	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:S[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[5]-3:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(S[6]C[6,6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(S[6]C[6,6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|O<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a]){2|O<1>,4|C<3>}	109.4800	0.000	1	109.4800	0.000	1	108.9265	0.613	2	109.7197	7.911	48	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[5]-3:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(B[6]N[5,6]FF)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(C[6]C[5,6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(B[6]N[5,6]FF){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(C[6]C[5,6]C){1|N<3>,2|F<1>,3|C<3>}	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	108.4941	1.087	12	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,6]C[5,6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(N[5]C[5,6a]C[6a])	N[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6]){10|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,6]C[5,6]B[6]){1|H<1>,1|O<2>,8|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	107.8480	0.000	1	107.8480	0.000	1	107.8480	0.000	1	108.4941	1.087	12	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-3:	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5a,6]C[5])(B[6]O[6]FF)	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5a,6]N[5a,6a]C[5a,6])(N[5,6]C[5,6a]B[6])(C[5]N[5,6a]H)	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5a,6]C[5])(B[6]O[6]FF){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[5,6](C[5a,6]N[5a,6a]C[5a,6])(N[5,6]C[5,6a]B[6])(C[5]N[5,6a]H){1|N<2>,1|O<2>,2|F<1>,4|C<3>}	107.2585	0.333	2	107.2585	0.111	2	107.2585	0.111	2	108.4941	1.087	12	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H)	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H){2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	109.2220	0.000	2	109.2220	0.000	2	109.2220	0.000	2	108.4941	1.087	12	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cd)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H){1|Cd<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|Cd<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cd){1|N<3>,2|H<1>,5|C<3>}	108.2560	0.000	1	108.2560	0.000	1	108.8244	0.209	5	108.4941	1.087	12	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C){1|N<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	108.4710	0.000	1	108.4710	0.000	1	108.8244	0.209	5	108.4941	1.087	12	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){1|N<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<3>,2|H<1>,5|C<3>}	108.8890	0.000	1	109.1317	0.053	3	108.8244	0.209	5	108.4941	1.087	12	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<3>,2|H<1>,5|C<3>}	109.2530	0.134	2	109.1317	0.053	3	108.8244	0.209	5	108.4941	1.087	12	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]HH)	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]N[5,6a]N)	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]HH){1|N<2>,3|H<1>,4|C<3>}	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]N[5,6a]N){1|C<4>,3|H<1>,4|C<3>}	110.2220	0.000	1	110.2220	0.000	1	110.2220	0.000	1	108.4941	1.087	12	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(B[6]O[6]FF){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C){2|H<1>,4|C<3>}	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5]-4:N[5,6]-3:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[5]C[5,6a]C[6a]O)(N[5,6]C[5,6a]C[6])(N[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]C[6a]O)(N[5,6]C[5,6a]C[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:6:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6]-3:Nb[6]-6:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:S[5]-2:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(Nb[6]O[6]O4)	C[5,6a](N[5,6]C[5,6]Nb[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]Nb[6])(S[5]C[5,6a])(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(Nb[6]O[6]O4){2|H<1>,3|C<3>}	C[5,6a](N[5,6]C[5,6]Nb[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,5|O<2>}	C[5,6](N[5,6]C[5,6a]Nb[6])(S[5]C[5,6a])(C[6]C[6]H){1|C<4>,2|C<3>,5|O<2>}	110.8930	0.000	1	110.8930	0.000	1	110.8930	0.000	1	110.8930	0.000	1	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[6]-4:C[5,6]-3:	N[5,6]-3:N[5,6a]-3:N[6a]-2:	N[5,6]-3:N[6]-3:N[5]-2:	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]N[5])(N[6a]C[6a])	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6]H)(N[5]N[5,6a])	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,6|C<3>}	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]N[5])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6]H)(N[5]N[5,6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	105.5750	0.000	1	105.5750	0.000	1	105.5750	0.000	1	105.5750	0.000	1	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:2:2:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:S[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]N[5]H)(C[5,6]S[5]S[6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(S[6]C[5,6])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]N[5]H)(C[5,6]S[5]S[6]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(S[6]C[5,6]){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	111.9785	0.025	2	111.9785	0.001	2	111.9785	0.001	2	112.6907	1.522	3	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	114.1150	0.000	1	114.1150	0.000	1	114.1150	0.000	1	112.6907	1.522	3	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:2:3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H){1|O<2>,5|C<3>}	112.0570	0.000	1	112.0570	0.000	1	112.0570	0.000	1	112.0570	0.000	1	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]O[5])	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]O[5]){1|H<1>,8|C<3>}	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	106.9450	0.000	1	106.9450	0.000	1	106.9450	0.000	1	109.3443	9.286	8	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]S[5])	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]S[5]){1|H<1>,8|C<3>}	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	109.3443	9.286	8	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]O[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]O[5]){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,6|C<3>}	106.1520	0.232	2	106.1520	0.054	2	106.1520	0.054	2	109.3443	9.286	8	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]S[5]){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|N<3>,6|C<3>}	111.1900	0.000	1	111.1900	0.000	1	111.1900	0.000	1	109.3443	9.286	8	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a]){1|O<2>,7|C<3>}	112.6020	0.539	2	112.6020	0.290	2	112.6020	0.290	2	109.3443	9.286	8	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[5]-3:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6]){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(N[6]C[6]){1|H<1>,5|C<3>}	106.9290	0.000	1	106.9290	0.000	1	106.9290	0.000	1	109.3443	9.286	8	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]N[5])	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(N[5]C[5,6a]C[6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]N[5]){1|H<1>,9|C<3>}	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	108.2395	0.032	2	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:B[6,6]-4:C[5,6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6,6]C[6,6a]2O[6])(C[5,6]C[6,6a]N[5])	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6,6])(N[5]C[5,6a]C[6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6,6]C[6,6a]2O[6])(C[5,6]C[6,6a]N[5]){1|H<1>,9|C<3>}	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6,6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	108.1130	0.000	1	108.1130	0.000	1	108.1130	0.000	1	108.2395	0.032	2	110.4785	8.695	144	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:1:	3:2:3:	3:2:3:	C[5,5a]-3:C[5]-3:H-1:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5]-3:N[5]-2:N-3:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(H)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]H)	C[5](N[5]C[5,5a]H)(N[5]N[5,5a])(NHH)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(H){1|C<3>,1|N<3>}	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]H){1|H<1>,2|N<3>}	C[5](N[5]C[5,5a]H)(N[5]N[5,5a])(NHH){1|C<3>,1|N<2>}	105.8070	0.000	1	105.8070	0.000	1	105.8070	0.000	1	105.8070	0.000	1	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	3:2:4:	C[5,5a]-3:C[5]-3:H-1:	N[5,5a]-3:N[5a]-3:N[5]-3:	N[5]-3:N[5]-2:C-4:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]C)(H)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a]H)(N[5]C[5]H)	C[5](N[5]C[5,5a]H)(N[5]N[5,5a])(CH3)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a]H)(N[5]C[5]H){1|C<3>,1|C<4>}	C[5](N[5]C[5,5a]H)(N[5]N[5,5a])(CH3){1|C<3>,1|N<3>}	104.9590	0.000	1	104.9590	0.000	1	104.9590	0.000	1	104.9590	0.000	1	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]H)(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]H)(O){1|S<2>,3|C<3>}	109.5980	0.000	1	109.7840	0.069	2	109.7840	0.069	2	108.2523	1.449	6	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]H)(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H){1|O<1>,2|C<3>}	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]H)(O){1|S<2>,3|C<3>}	109.9700	0.000	1	109.7840	0.069	2	109.7840	0.069	2	108.2523	1.449	6	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]H)(H)	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]N[5a]C)(N[5]C[5]H)	C[5](N[5]C[5,5a]H)2(H)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]N[5a]C)(N[5]C[5]H){1|Ni<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5,5a]H)2(H){2|C<3>}	107.4865	0.215	4	107.4865	0.046	4	107.4865	0.046	4	108.2523	1.449	6	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:2:	3:2:3:	3:2:2:	C[5,5a]-3:C[5]-3:N-2:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5]-3:N[5]-2:N-2:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NN)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	C[5](N[5]C[5,5a]N)(N[5]N[5,5a])(NN)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NN){1|C<3>,1|N<3>}	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|H<1>,2|N<2>}	C[5](N[5]C[5,5a]N)(N[5]N[5,5a])(NN){1|C<3>,1|N<2>}	106.2590	0.000	1	106.2590	0.000	1	106.2590	0.000	1	106.2590	0.000	1	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:2:1:	C[5,5a]-3:C[5]-3:N-3:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]H)(NHH)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	C[5](N[5]C[5,5a]N)(N[5]N[5,5a])(H)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]H)(NHH){1|C<3>,1|N<3>}	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|N<3>,2|H<1>}	C[5](N[5]C[5,5a]N)(N[5]N[5,5a])(H){1|C<3>,1|N<2>}	105.9340	0.083	2	105.9340	0.007	2	105.9340	0.007	2	105.9340	0.007	2	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:2:3:	C[5,5a]-3:C[5]-3:N-3:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5]-3:N[5]-2:N-3:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NHH)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	C[5](N[5]C[5,5a]N)(N[5]N[5,5a])(NHH)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NHH){1|C<3>,1|N<3>}	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|H<1>,2|N<3>}	C[5](N[5]C[5,5a]N)(N[5]N[5,5a])(NHH){1|C<3>,1|N<2>}	106.0953	0.160	3	106.0953	0.025	3	106.0953	0.025	3	106.0953	0.025	3	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:S[5a]-2:	N[5]-3:S[5]-2:S-1:	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,5a](C[5,5a]S[5a]S[5])(N[5]C[6a]C[5])(S[5a]C[5a])	C[5](N[5]C[5,5a]C[6a])(S[5]C[5,5a])(S)	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S){1|H<1>,1|I<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]S[5a]S[5])(N[5]C[6a]C[5])(S[5a]C[5a]){1|O<1>,1|S<1>,2|C<3>}	C[5](N[5]C[5,5a]C[6a])(S[5]C[5,5a])(S){2|C<3>,2|S<2>}	114.2910	0.000	1	113.8140	0.201	3	113.8140	0.201	3	113.8140	0.201	3	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:S[5a]-2:	N[5]-3:S[5]-2:S-1:	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,5a](C[5,5a]S[5a]S[5])(N[5]C[6a]C[5])(S[5a]C[5a])	C[5](N[5]C[5,5a]C[6a])(S[5]C[5,5a])(S)	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S){1|S<2>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]S[5a]S[5])(N[5]C[6a]C[5])(S[5a]C[5a]){1|O<1>,1|S<1>,2|C<3>}	C[5](N[5]C[5,5a]C[6a])(S[5]C[5,5a])(S){2|C<3>,2|S<2>}	113.5755	0.247	2	113.8140	0.201	3	113.8140	0.201	3	113.8140	0.201	3	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(N[5]C[6a]C[5])	C[5](C[5]C[5,5a]C[6a])(N[5]C[5,5a]C[6a])(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,2|H<1>,5|C<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(N[5]C[6a]C[5]){2|O<1>,6|C<3>}	C[5](C[5]C[5,5a]C[6a])(N[5]C[5,5a]C[6a])(O){1|N<3>,5|C<3>}	107.9680	0.000	1	107.9680	0.000	1	107.9680	0.000	1	108.1873	0.447	3	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:C[5a]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5a](C[5,5a]N[5a]C[5])(N[5]C[6a]C[5])(C[5a]C[5a]2)	C[5](C[5]C[5,5a]C[5a])(N[5]C[5,5a]C[6a])(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,2|H<1>,5|C<3>}	C[5,5a](C[5,5a]N[5a]C[5])(N[5]C[6a]C[5])(C[5a]C[5a]2){1|S<2>,2|O<1>,5|C<3>}	C[5](C[5]C[5,5a]C[5a])(N[5]C[5,5a]C[6a])(O){1|N<3>,1|S<2>,4|C<3>}	108.2970	0.907	2	108.2970	0.822	2	108.2970	0.822	2	108.1873	0.447	3	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:4:	3:2:3:	3:2:1:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:S[5a]-2:N[5]-3:	N[5]-3:S[5]-2:S-1:	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CCHH)	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C)	C[5](N[5]C[5,5a]C)(S[5]C[5,5a])(S)	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CCHH){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C){1|O<1>,1|S<1>}	C[5](N[5]C[5,5a]C)(S[5]C[5,5a])(S){2|S<2>}	113.5180	0.000	1	113.5180	0.000	1	113.3190	0.035	3	113.3190	0.035	3	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:4:	3:2:3:	3:2:1:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:S[5a]-2:N[5]-3:	N[5]-3:S[5]-2:S-1:	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CC[6a]CH)	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C)	C[5](N[5]C[5,5a]C)(S[5]C[5,5a])(S)	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CC[6a]CH){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C){1|O<1>,1|S<1>}	C[5](N[5]C[5,5a]C)(S[5]C[5,5a])(S){2|S<2>}	113.2195	0.104	2	113.2195	0.011	2	113.3190	0.035	3	113.3190	0.035	3	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	C[5](C[5]C[5,5a]C)(N[5]C[5,5a]C)(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|O<1>,2|C<3>}	C[5](C[5]C[5,5a]C)(N[5]C[5,5a]C)(O){1|C<3>,1|S<2>}	108.7780	0.000	1	108.7780	0.000	1	108.8683	0.020	6	108.8187	0.034	7	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O){1|S<2>,3|C<3>}	109.0180	0.098	2	108.9777	0.010	3	108.8683	0.020	6	108.8187	0.034	7	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|O<1>,2|C<3>}	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O){1|S<2>,3|C<3>}	108.8970	0.000	1	108.9777	0.010	3	108.8683	0.020	6	108.8187	0.034	7	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	C[5](C[5]C[5,5a]O)(N[5]C[5,5a]C)(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|C<3>,2|O<1>}	C[5](C[5]C[5,5a]O)(N[5]C[5,5a]C)(O){1|C<3>,1|S<2>}	108.7495	0.095	2	108.7495	0.009	2	108.8683	0.020	6	108.8187	0.034	7	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(CCHH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5]C[5]C)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O)	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(CCHH){1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O){1|S<2>,3|C<3>}	108.5210	0.000	1	108.5210	0.000	1	108.5210	0.000	1	108.8187	0.034	7	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,5a]	C[5]	3:3:4:	3:4:3:	3:3:1:	C[5,5a]-3:C[5]-3:C-4:	N[5,5a]-3:B[5a]-4:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC[6a]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]N[5a,6a]CC)(N[5]C[5]C)	C[5](C[5]N[5,5a]H)(N[5]C[5,5a]C)(H)	N[5](C[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]N[5a,6a]CC)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](C[5]N[5,5a]H)(N[5]C[5,5a]C)(H){1|B<4>,1|C<3>}	110.5145	0.169	2	110.5145	0.029	2	110.5145	0.029	2	110.5145	0.029	2	108.9192	7.177	32	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a,6a]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5,6a,6a]-3:C[5]-3:C-4:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3)	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	C[5](C[5]N[5,6a,6a]H)(N[5]C[5,6a,6a]C)(H)	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	C[5](C[5]N[5,6a,6a]H)(N[5]C[5,6a,6a]C)(H){2|B<4>}	109.4710	0.000	1	109.4710	0.000	1	109.4175	0.006	2	109.4175	0.006	2	109.4175	0.006	2	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a,6a]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5,6a,6a]-3:C[5]-3:C-4:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3)	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	C[5](C[5]N[5,6a,6a]H)(N[5]C[5,6a,6a]C)(H)	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	C[5](C[5]N[5,6a,6a]H)(N[5]C[5,6a,6a]C)(H){2|B<4>}	109.3640	0.000	1	109.3640	0.000	1	109.4175	0.006	2	109.4175	0.006	2	109.4175	0.006	2	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,5]-3:N[5]-3:C[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	107.3701	1.654	20	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	B[5]-4:N[5,5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|B<4>,2|C<3>,2|H<1>}	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]H){8|C<3>}	110.7000	0.000	1	110.7000	0.000	1	110.7000	0.000	1	110.7000	0.000	1	107.3701	1.654	20	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:N[5]-3:	C[5,6a]-3:N[5,5]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,5]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C[6a])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,5]C[6a]){1|B<4>,1|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	106.8925	0.286	4	106.8925	0.082	4	106.8925	0.082	4	106.8925	0.082	4	107.3701	1.654	20	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]C[5])(COO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(N[5]C[5,6a]C)(C[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]C[5])(COO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(N[5]C[5,6a]C)(C[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	107.3701	1.654	20	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,5]-3:N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CC[6a]HH){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(N[5]Se[5]){1|N<2>,2|C<3>}	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	107.3701	1.654	20	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5,5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C)	N[5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(CH3){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C){1|F<1>,6|C<3>}	107.4660	0.000	1	107.4660	0.000	1	107.4660	0.000	1	106.9583	0.323	7	107.3701	1.654	20	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,5]-3:C[5,6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Ga<5>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	106.7165	0.028	2	106.7165	0.001	2	106.6728	0.014	4	106.9583	0.323	7	107.3701	1.654	20	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,5]-3:C[5,6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CC[6a]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CC[6a]HH){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Ga<5>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	106.6290	0.182	2	106.6290	0.033	2	106.6728	0.014	4	106.9583	0.323	7	107.3701	1.654	20	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(CCCH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(CCCH){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C){2|C<3>,2|H<1>,2|N<3>}	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	106.9583	0.323	7	107.3701	1.654	20	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,5]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CH3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,5](N[5,5]C[5,6a]N[5])(N[5]C[5,6a]C)(N[5]C[5]Cu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CH3){1|Cu<5>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,5](N[5,5]C[5,6a]N[5])(N[5]C[5,6a]C)(N[5]C[5]Cu){1|H<1>,2|C<3>}	106.5310	0.000	1	106.5310	0.000	1	106.5310	0.000	1	106.9583	0.323	7	107.3701	1.654	20	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	B[5]-4:N[5,5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(CH3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(CH3){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,2|C<3>,2|H<1>}	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C){8|C<3>}	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	107.2572	3.083	5	107.3701	1.654	20	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5,5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5,5])(CH3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5,5])(CH3){1|Fe<10>,1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C){1|H<1>,2|C<4>,4|C<3>}	107.1960	0.433	3	107.1960	0.188	3	107.1960	0.188	3	107.2572	3.083	5	107.3701	1.654	20	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5,6])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]C[5,6,6]C[6])(N[5]C[5,6a]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5,6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]C[5,6,6]C[6])(N[5]C[5,6a]S){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	104.9070	0.000	1	104.9070	0.000	1	104.9070	0.000	1	107.2572	3.083	5	107.3701	1.654	20	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,3x6]-4:C[6,6]-3:N[5]-3:	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C)	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C){2|C<4>,2|H<1>,5|C<3>}	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(N[6]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(N[6]C[5,6]){1|N<3>,2|F<1>,3|C<3>}	108.3290	0.000	1	108.3290	0.000	1	106.7680	4.873	2	106.7680	4.873	2	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(N[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(N[6]C[6]){1|H<1>,5|C<3>}	105.2070	0.000	1	105.2070	0.000	1	106.7680	4.873	2	106.7680	4.873	2	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a,6]-3:N[5,6]-3:N[5]-3:	N[5](C[5,6]C[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5](C[5,6]C[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Br<1>,3|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<2>,2|C<4>,4|C<3>}	105.6200	0.000	1	105.6200	0.000	1	105.6200	0.000	1	108.3373	2.078	6	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	108.5920	0.000	1	109.1043	0.177	4	109.1043	0.177	4	108.3373	2.078	6	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<3>,2|H<1>,5|C<3>}	109.2750	0.300	3	109.1043	0.177	4	109.1043	0.177	4	108.3373	2.078	6	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(C[6]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(H){1|B<4>,1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|B<4>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(C[6]C[5,6]C){1|N<3>,2|F<1>,3|C<3>}	107.9870	0.000	1	107.9870	0.000	1	107.9870	0.000	1	108.3373	2.078	6	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	109.8553	0.685	3	109.8553	0.469	3	109.5573	1.117	18	109.5573	1.117	18	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	109.0040	1.571	2	109.4193	1.175	6	109.5573	1.117	18	109.5573	1.117	18	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	109.6270	0.981	4	109.4193	1.175	6	109.5573	1.117	18	109.5573	1.117	18	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	109.9922	0.633	4	109.9922	0.401	4	109.5573	1.117	18	109.5573	1.117	18	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	110.4370	0.000	1	110.4370	0.000	1	109.5573	1.117	18	109.5573	1.117	18	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	108.0350	1.966	2	108.0350	3.864	2	109.5573	1.117	18	109.5573	1.117	18	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	109.7370	0.703	2	109.7370	0.494	2	109.5573	1.117	18	109.5573	1.117	18	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(N[5]C[5,6a]C[6a])	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	107.8330	0.000	1	107.8330	0.000	1	107.0495	1.228	2	107.4387	1.068	3	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6,6])(N[5]C[5,6a]C[6a])	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6,6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	106.2660	0.000	1	106.2660	0.000	1	107.0495	1.228	2	107.4387	1.068	3	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:N[5]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]N[5,6])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(N[5]C[5,6a]C[6a])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5,6])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6]C[6a]){1|B<4>,1|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	107.4387	1.068	3	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]N[6])(CCO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(N[6]N[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]N[6])(CCO){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(N[6]N[6]){1|H<1>,2|C<4>,5|C<3>}	107.8870	0.000	1	107.8870	0.000	1	107.8870	0.000	1	107.8870	0.000	1	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(COO){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]H){3|H<1>,4|C<3>}	112.5900	0.000	1	112.5900	0.000	1	112.5900	0.000	1	112.5900	0.000	1	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C)	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a]){2|O<1>,4|C<3>}	110.2310	0.000	1	110.2310	0.000	1	109.6672	0.325	4	109.6672	0.325	4	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6](N[5,6]C[5,6a]C[6,6a])(N[5]C[5,6a]C)(N[6]S[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|N<2>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6,6a])(N[5]C[5,6a]C)(N[6]S[6]){2|O<1>,4|C<3>}	109.5760	0.000	1	109.5760	0.000	1	109.6672	0.325	4	109.6672	0.325	4	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(N[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	108.9130	0.000	1	108.9130	0.000	1	109.6672	0.325	4	109.6672	0.325	4	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a]){2|O<1>,4|C<3>}	109.9490	0.000	1	109.9490	0.000	1	109.6672	0.325	4	109.6672	0.325	4	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6]-3:C[5,6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	108.8690	0.000	2	108.8690	0.000	2	108.8690	0.000	2	108.8690	0.000	2	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6]-3:C[6]-4:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C){2|H<1>,4|C<3>}	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]){1|C<4>,5|C<3>}	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:P-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PNNO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]P)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PNNO){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.0595	0.525	2	108.0595	0.276	2	108.0595	0.276	2	107.4020	1.435	3	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	106.0870	0.000	1	106.0870	0.000	1	106.0870	0.000	1	107.4020	1.435	3	108.9501	2.257	42	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:2:1:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(N[5]N[5,6a])(H)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>}	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<3>,1|H<1>,2|C<4>}	C[5](N[5]C[5,6a]H)(N[5]N[5,6a])(H){1|C<3>,1|N<2>}	106.6096	0.257	5	106.6694	0.169	7	106.6694	0.169	7	106.6694	0.169	7	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:2:1:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(N[5]N[5,6a])(H)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>}	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)(N[5]N[5,6a])(H){1|C<3>,1|N<2>}	106.8190	0.829	2	106.6694	0.169	7	106.6694	0.169	7	106.6694	0.169	7	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Ag<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Ag<4>,1|N<2>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	106.1040	0.000	1	106.1040	0.000	1	107.9001	0.688	31	107.9001	0.688	31	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	108.9548	0.151	5	108.9548	0.023	5	107.9001	0.688	31	107.9001	0.688	31	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Co<6>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Co<6>,1|H<1>,1|N<2>,2|N<3>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	107.2050	0.000	1	107.2050	0.000	1	107.9001	0.688	31	107.9001	0.688	31	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Cu<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Cu<4>,1|N<2>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	106.3380	0.000	1	106.3400	0.000	2	107.9001	0.688	31	107.9001	0.688	31	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Cu<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Cu<4>,1|N<2>,1|S<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	106.3420	0.000	1	106.3400	0.000	2	107.9001	0.688	31	107.9001	0.688	31	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<2>,1|N<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<2>}	107.7827	0.120	4	108.0767	0.149	19	107.9001	0.688	31	107.9001	0.688	31	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<3>,1|O<1>,3|H<1>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<2>}	108.1774	0.386	5	108.0767	0.149	19	107.9001	0.688	31	107.9001	0.688	31	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<3>,1|S<1>,3|H<1>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<2>}	108.0750	0.000	1	108.0767	0.149	19	107.9001	0.688	31	107.9001	0.688	31	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<2>}	108.0491	0.381	7	108.0767	0.149	19	107.9001	0.688	31	107.9001	0.688	31	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){2|N<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<2>}	108.5100	0.626	2	108.0767	0.149	19	107.9001	0.688	31	107.9001	0.688	31	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Ru<9>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Ru<9>,1|H<1>,1|S<2>,2|N<2>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	107.0860	0.000	1	107.0860	0.000	1	107.9001	0.688	31	107.9001	0.688	31	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Zn<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Zn<4>,1|N<2>,3|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	106.7990	0.252	2	106.7990	0.063	2	107.9001	0.688	31	107.9001	0.688	31	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	109.8530	1.270	2	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:N[6a]-2:N[5]-3:	C[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5])(H){5|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	109.0560	0.000	1	109.0560	0.000	1	109.0560	0.000	1	109.8530	1.270	2	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){1|N<2>,3|C<3>}	110.6330	0.000	1	110.6330	0.000	1	110.6330	0.000	1	110.6330	0.000	1	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(N[5]C[5,6a])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>}	C[5](N[5]C[5,6a]H)(N[5]C[5,6a])(O){2|C<3>}	110.2820	0.000	1	110.2820	0.000	1	110.2820	0.000	1	114.0835	6.562	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|H<1>,1|S<1>,2|C<3>}	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(S){2|C<3>}	110.9250	0.000	1	110.9250	0.000	1	110.6160	0.124	3	114.0835	6.562	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(S){2|C<3>}	110.4615	0.325	2	110.4615	0.105	2	110.6160	0.124	3	114.0835	6.562	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(H){2|C<3>}	114.3660	0.231	5	114.3660	0.054	5	114.3660	0.054	5	114.0835	6.562	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(S){2|C<3>}	117.1295	0.477	2	116.8092	0.213	4	116.8092	0.213	4	114.0835	6.562	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(S){2|C<3>}	116.4890	0.010	2	116.8092	0.213	4	116.8092	0.213	4	114.0835	6.562	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<1>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(Se){2|C<3>}	115.9720	0.000	1	115.9720	0.000	1	115.9720	0.000	1	114.0835	6.562	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(SCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(SCu){2|C<3>}	109.3150	0.000	1	109.3150	0.000	1	109.3150	0.000	1	114.7411	4.189	10	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NH){2|C<3>}	113.8250	0.000	1	113.8250	0.000	1	115.2448	1.462	4	114.7411	4.189	10	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NN){2|C<3>}	114.6590	0.000	1	114.6590	0.000	1	115.2448	1.462	4	114.7411	4.189	10	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NP)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NP){2|C<3>}	116.1550	0.000	1	116.1550	0.000	1	115.2448	1.462	4	114.7411	4.189	10	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NS){2|C<3>}	116.3400	0.000	1	116.3400	0.000	1	115.2448	1.462	4	114.7411	4.189	10	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:P-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(PC[5a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|P<2>,2|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(PC[5a]){2|C<3>}	114.9410	0.000	1	114.9410	0.000	1	114.9410	0.000	1	114.7411	4.189	10	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(SBr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(SBr){2|C<3>}	115.3280	0.000	1	115.3280	0.000	1	115.5440	0.080	4	114.7411	4.189	10	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(SI)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(SI){2|C<3>}	115.5400	0.378	2	115.5400	0.143	2	115.5440	0.080	4	114.7411	4.189	10	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(SRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(SRu){2|C<3>}	115.7680	0.000	1	115.7680	0.000	1	115.5440	0.080	4	114.7411	4.189	10	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O[5]-2:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(NHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(NHH){2|C<3>}	107.8013	0.920	3	107.8013	0.846	3	107.8013	0.846	3	113.9097	3.435	41	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(CCC){2|C<3>}	115.3075	0.636	2	115.3075	0.404	2	115.3075	0.404	2	113.9097	3.435	41	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	115.4250	0.000	1	115.4250	0.000	1	115.4250	0.000	1	113.9097	3.435	41	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NHH){2|C<3>}	114.3157	0.562	31	114.3157	0.315	31	114.2765	0.310	34	113.9097	3.435	41	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NHN){2|C<3>}	113.8713	0.336	3	113.8713	0.113	3	114.2765	0.310	34	113.9097	3.435	41	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(CCC)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(H){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]H){2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(CCC){2|C<3>}	115.4500	0.000	1	115.4500	0.000	1	115.4500	0.000	1	113.9097	3.435	41	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl)	C[5](N[5]C[5,6a]Cl)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(Cl){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl){1|C<3>,4|H<1>}	C[5](N[5]C[5,6a]Cl)(N[5]C[5,6a]H)(H){2|C<3>}	107.6980	0.000	1	107.6980	0.000	1	107.6980	0.000	1	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>}	111.3840	0.000	1	111.3840	0.000	1	111.5483	0.043	3	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>}	111.6305	0.214	2	111.6305	0.046	2	111.5483	0.043	3	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	110.9960	0.000	1	110.9960	0.000	1	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	111.2300	0.356	6	111.2300	0.127	6	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	110.6037	0.957	3	110.6497	0.619	4	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	110.7880	0.000	1	110.6497	0.619	4	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|F<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	110.6851	0.174	7	110.6851	0.030	7	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	111.4300	0.000	1	111.2687	0.322	68	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	111.2530	0.000	1	111.2687	0.322	68	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|S<6>,2|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	112.1040	0.000	1	111.2687	0.322	68	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	111.2536	0.571	65	111.2687	0.322	68	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>}	110.5030	0.000	1	110.5030	0.000	1	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	112.0582	0.525	6	112.0582	0.276	6	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(O){2|C<3>}	112.2960	0.000	1	112.2960	0.000	1	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	111.4285	0.469	64	111.4273	0.238	69	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	111.4118	0.770	5	111.4273	0.238	69	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	111.1380	0.287	4	111.3818	0.110	23	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|F<1>,1|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	111.3640	0.000	1	111.3818	0.110	23	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	111.6560	0.264	2	111.3818	0.110	23	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	111.3201	0.326	12	111.3818	0.110	23	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	111.7853	0.067	3	111.3818	0.110	23	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	111.3570	0.000	1	111.3818	0.110	23	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|I<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	111.0470	0.000	1	111.0470	0.000	1	111.3289	0.296	187	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(H){2|C<3>}	108.7520	0.000	1	108.7520	0.000	1	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	108.6225	0.527	15	108.6225	0.278	15	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cd<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(H){2|C<3>}	107.2147	0.512	6	107.3219	0.205	9	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cd<8>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<8>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(H){2|C<3>}	107.5363	0.247	3	107.3219	0.205	9	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cl)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Cl)(N[5]C[5,6a]H)(H){2|C<3>}	105.3280	0.000	1	105.3280	0.000	1	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H){2|C<3>}	107.3880	0.000	1	107.5367	0.274	23	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H){2|C<3>}	108.0947	0.257	6	107.5367	0.274	23	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H){2|C<3>}	108.3190	0.503	2	107.5367	0.274	23	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H){2|C<3>}	107.1679	0.211	12	107.5367	0.274	23	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H){2|C<3>}	107.3680	0.385	2	107.5367	0.274	23	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(H){2|C<3>}	108.0170	0.000	1	107.7280	0.167	2	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cu<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(H){2|C<3>}	107.4390	0.000	1	107.7280	0.167	2	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]H)2(H){2|C<3>}	108.3775	0.433	2	108.5956	0.871	177	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(H){2|C<3>}	107.7060	0.000	1	108.5956	0.871	177	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	C[5](N[5]C[5,6a]H)2(H){2|C<3>}	108.5883	0.940	170	108.5956	0.871	177	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(H){2|C<3>}	109.7590	0.263	2	108.5956	0.871	177	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(H){2|C<3>}	108.7165	0.291	2	108.5956	0.871	177	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(H){2|C<3>}	107.0797	0.190	3	107.2288	0.113	4	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Mn<8>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<8>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(H){2|C<3>}	107.6760	0.000	1	107.2288	0.113	4	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ni<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(H){2|C<3>}	107.1270	0.000	1	107.2560	0.050	11	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(H){2|C<3>}	107.1737	0.139	3	107.2560	0.050	11	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(H){2|C<3>}	107.3478	0.117	5	107.2560	0.050	11	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(H){2|C<3>}	107.2145	0.571	2	107.2560	0.050	11	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Os<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<6>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]H)(H){2|C<3>}	107.6518	0.502	5	107.6550	0.202	6	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Os<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]H)(H){2|C<3>}	107.6710	0.000	1	107.6550	0.202	6	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(H){2|C<3>}	108.2660	0.000	1	107.8061	0.186	7	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(H){2|C<3>}	107.6968	0.458	5	107.8061	0.186	7	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(H){2|C<3>}	107.8930	0.000	1	107.8061	0.186	7	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(H){2|C<3>}	107.3450	0.344	3	107.4728	0.117	5	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Zn<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(H){2|C<3>}	107.6645	0.332	2	107.4728	0.117	5	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<5>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){1|Co<5>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H){2|C<3>}	106.6270	0.000	1	106.6270	0.000	1	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Zn<5>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){1|Zn<5>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(H){2|C<3>}	107.4330	0.000	1	107.4330	0.000	1	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<6>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Co<6>,1|C<3>,1|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	106.9345	0.350	4	106.9345	0.122	4	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<2>}	107.3355	0.094	2	107.9117	0.380	6	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<2>}	108.2330	0.664	3	107.9117	0.380	6	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<3>}	108.1000	0.000	1	107.9117	0.380	6	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<2>}	107.5820	0.000	1	107.5820	0.000	1	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	108.0571	0.522	11	108.0571	0.273	11	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<2>}	107.9550	0.335	12	107.9587	0.123	24	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<3>}	107.9496	0.465	7	107.9587	0.123	24	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,4|H<1>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<3>}	107.9802	0.267	5	107.9587	0.123	24	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Pt<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Pt<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	107.0640	0.393	3	107.0640	0.155	3	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ru<9>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<9>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	106.6460	0.000	1	106.6460	0.000	1	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H){1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<2>}	108.2100	0.000	1	108.2100	0.000	1	108.2125	0.863	314	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S){2|C<3>}	110.8030	0.000	1	110.9055	0.021	2	110.4719	0.572	14	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S){2|C<3>}	111.0080	0.000	1	110.9055	0.021	2	110.4719	0.572	14	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]H)2(S){2|C<3>}	110.6535	0.214	2	110.4692	0.664	9	110.4719	0.572	14	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<2>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]H)2(S){2|C<3>}	110.6550	0.000	1	110.4692	0.664	9	110.4719	0.572	14	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	C[5](N[5]C[5,6a]H)2(S){2|C<3>}	110.3768	1.011	6	110.4692	0.664	9	110.4719	0.572	14	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Si)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Si<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Si<4>,1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]Si)(N[5]C[5,6a]H)(S){2|C<3>}	110.6875	0.045	2	110.6875	0.002	2	110.4719	0.572	14	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]H)(S){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	109.1970	0.000	1	109.1970	0.000	1	110.4719	0.572	14	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(Se){2|C<3>}	110.1680	0.000	1	110.1680	0.000	1	110.1680	0.000	1	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<3>}	107.2156	0.662	5	107.2156	0.438	5	107.3915	0.303	17	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<3>}	107.5444	0.588	7	107.5444	0.346	7	107.3915	0.303	17	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<3>}	107.4780	0.095	2	107.3534	0.172	5	107.3915	0.303	17	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<2>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<3>}	107.1620	0.000	1	107.3534	0.172	5	107.3915	0.303	17	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<3>}	107.3245	0.780	2	107.3534	0.172	5	107.3915	0.303	17	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	108.8860	0.000	1	108.8860	0.000	1	108.8860	0.000	1	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	109.1030	0.000	1	109.1030	0.000	1	109.2400	0.126	4	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]H)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]H)(H){4|C<3>}	109.5820	0.000	1	109.5820	0.000	1	109.2400	0.126	4	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(H){2|C<3>}	109.1375	0.470	2	109.1375	0.221	2	109.2400	0.126	4	109.3503	2.916	542	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a]-3:N[5]-3:S[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)(S[5]C[5,6a]){1|Cu<4>,5|C<3>}	115.4970	0.000	1	115.4970	0.000	1	115.4970	0.000	1	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:P[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)(P[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)(P[5]C[5,6a]){1|H<1>,5|C<3>}	115.2340	0.000	1	115.2340	0.000	1	114.2050	0.799	3	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:P[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)(P[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)(P[5]C[5,6a]){1|H<1>,4|C<3>}	113.6905	0.097	2	113.6905	0.009	2	114.2050	0.799	3	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:S[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	114.9930	0.000	1	113.9420	14.202	7	113.9420	14.202	7	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:S[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	117.2480	0.000	2	113.9420	14.202	7	113.9420	14.202	7	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:S[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,5|C<3>}	108.8610	2.728	2	113.9420	14.202	7	113.9420	14.202	7	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:S[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){2|H<1>,4|C<3>}	115.1915	0.218	2	113.9420	14.202	7	113.9420	14.202	7	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CC){2|C<3>}	107.3750	0.000	1	107.3750	0.000	1	107.3750	0.000	1	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NC){2|C<3>}	108.4240	0.000	1	108.4240	0.000	1	108.5583	0.864	6	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NS){2|C<3>}	109.5670	0.000	1	109.5670	0.000	1	108.5583	0.864	6	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(NC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Co<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(NC){2|C<3>}	109.1000	0.000	1	109.1000	0.000	1	108.5583	0.864	6	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(NC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]H)2(NC){2|C<3>}	107.0050	0.000	1	107.0050	0.000	1	108.5583	0.864	6	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(NC[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,3|H<1>}	C[5](N[5]C[5,6a]H)2(NC[5]){2|C<3>}	108.6270	0.755	2	108.6270	0.570	2	108.5583	0.864	6	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]H)(SBi)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]H)(SBi){2|C<3>}	109.8850	0.789	2	109.8850	0.623	2	109.1505	1.102	23	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SC){2|C<3>}	108.5310	0.000	1	108.5310	0.000	1	109.1505	1.102	23	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(SCo)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(SCo){2|C<3>}	108.3745	0.086	2	108.3745	0.007	2	109.1505	1.102	23	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(SC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(SC){2|C<3>}	107.4740	0.528	2	107.4740	0.278	2	109.1505	1.102	23	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(SFe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Fe<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(SFe){2|C<3>}	108.7700	0.000	1	108.7700	0.000	1	109.1505	1.102	23	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(SC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,3|H<1>}	C[5](N[5]C[5,6a]H)2(SC){2|C<3>}	109.0692	0.371	10	109.0692	0.137	10	109.1505	1.102	23	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(SCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]H)2(SCu){2|C<3>}	110.0580	0.000	1	110.7860	0.410	4	109.1505	1.102	23	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(SCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,3|H<1>}	C[5](N[5]C[5,6a]H)2(SCu){2|C<3>}	111.0287	0.512	3	110.7860	0.410	4	109.1505	1.102	23	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]H)(SC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]H)(SC){2|C<3>}	107.8570	0.000	1	107.8570	0.000	1	109.1505	1.102	23	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SeHg)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SeHg){2|C<3>}	110.0678	0.634	9	110.0678	0.402	9	110.0678	0.402	9	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[5]-2:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]H)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5,6a])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5,6a]){2|H<1>,4|C<3>}	106.4260	0.000	1	106.4260	0.000	1	106.4260	0.000	1	110.2339	7.132	51	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.5635	0.363	2	106.5635	0.132	2	107.3707	2.020	3	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.9850	0.000	1	108.9850	0.000	1	107.3707	2.020	3	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	109.1515	0.012	2	109.5019	0.242	11	109.5019	0.242	11	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	109.3210	0.221	2	109.5019	0.242	11	109.5019	0.242	11	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|C<4>,1|O<1>,4|C<3>}	110.7300	0.000	1	109.5019	0.242	11	109.5019	0.242	11	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	109.4743	0.331	6	109.5019	0.242	11	109.5019	0.242	11	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]H){1|O<1>,2|N<2>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C[5]){2|C<3>}	109.4740	0.000	1	109.4740	0.000	1	110.0927	0.397	6	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCC){2|C<3>}	110.4700	0.000	1	110.4700	0.000	1	110.0927	0.397	6	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCH){2|C<3>}	110.5220	0.000	1	110.5220	0.000	1	110.0927	0.397	6	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCN){2|C<3>}	110.1890	0.000	1	110.1890	0.000	1	110.0927	0.397	6	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C){2|C<3>}	110.7340	0.000	1	110.7340	0.000	1	110.0927	0.397	6	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H){2|C<3>}	109.1670	0.000	1	109.1670	0.000	1	110.0927	0.397	6	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]Os)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Os<9>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]Os)(N[5]C[5,6a]H){1|N<3>,4|C<3>}	106.8400	0.000	1	106.8400	0.000	1	107.1745	0.224	2	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]Ru)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]Ru)(N[5]C[5,6a]H){1|N<3>,4|C<3>}	107.5090	0.000	1	107.5090	0.000	1	107.1745	0.224	2	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|N<2>,4|C<3>}	109.2815	0.535	2	109.6463	0.543	3	109.6463	0.543	3	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|N<3>,4|C<3>}	110.3760	0.000	1	109.6463	0.543	3	109.6463	0.543	3	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5a]C[5a,6]N[5a])(N[5]C[5,6a]Os)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Os<9>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6]N[5a])(N[5]C[5,6a]Os)(N[5]C[5,6a]H){1|N<2>,4|C<3>}	107.4370	0.000	1	107.4370	0.000	1	108.5741	0.742	11	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5a]C[5a,6a]N[5a])(N[5]C[5,6a]Ru)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6a]N[5a])(N[5]C[5,6a]Ru)(N[5]C[5,6a]H){1|N<2>,4|C<3>}	107.2870	0.000	1	107.2870	0.000	1	108.5741	0.742	11	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2{1|H<1>,1|S<2>,3|C<3>}	109.1617	0.425	6	109.0289	0.191	8	108.5741	0.742	11	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2{1|N<3>,4|C<3>}	108.6305	0.117	2	109.0289	0.191	8	108.5741	0.742	11	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Cu<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.3600	0.000	1	107.3600	0.000	1	108.5741	0.742	11	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[6]C[5a,6]N[6])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,2|C<3>,2|H<1>}	C[5](C[6]C[5a,6]N[6])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H){1|N<3>,4|C<3>}	107.6170	0.000	1	107.6170	0.000	1	108.4447	0.515	3	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5,6a]H)2{2|H<1>,4|C<3>}	108.8585	0.049	2	108.8585	0.002	2	108.4447	0.515	3	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Co<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]H){1|H<1>,1|N<3>,4|C<3>}	108.1110	0.148	2	108.1110	0.022	2	108.9767	7.713	12	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Fe)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Fe<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Fe)(N[5]C[5,6a]H){1|H<1>,1|N<3>,4|C<3>}	108.7350	0.000	1	108.7350	0.000	1	108.9767	7.713	12	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[6a]C[6a,6a]2)(N[5]C[5,6a]Ag)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ag<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ag<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a,6a]2)(N[5]C[5,6a]Ag)(N[5]C[5,6a]H){6|C<3>}	107.8845	0.050	2	107.8845	0.003	2	108.9767	7.713	12	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H){1|H<1>,5|C<3>}	109.0580	0.000	1	109.7555	0.973	2	108.9767	7.713	12	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H){5|C<3>}	110.4530	0.000	1	109.7555	0.973	2	108.9767	7.713	12	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)(N[5]C[5,6a]H){1|H<1>,4|C<3>}	109.3170	0.000	1	109.3170	0.000	1	108.9767	7.713	12	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)2{1|H<1>,4|C<3>}	109.5415	5.076	4	109.5415	25.767	4	108.9767	7.713	12	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Co<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	107.6270	0.069	2	107.6270	0.005	2	107.5348	0.117	8	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Fe)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	107.1895	0.694	2	107.1895	0.481	2	107.5348	0.117	8	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	107.6120	0.040	2	107.6120	0.002	2	107.5348	0.117	8	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Os)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Os)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|N<3>,4|C<3>}	107.7110	0.000	1	107.7110	0.000	1	107.5348	0.117	8	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|N<3>,4|C<3>}	107.7100	0.000	1	107.7100	0.000	1	107.5348	0.117	8	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cd<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.1050	0.000	1	106.9155	0.082	6	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cd<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	106.8776	0.303	5	106.9155	0.082	6	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Co<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.8010	0.000	1	106.7758	0.979	10	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Co<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	106.7527	0.219	3	106.7758	0.979	10	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Co<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	106.6165	1.225	6	106.7758	0.979	10	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cr<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.4460	0.081	2	107.4460	0.006	2	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.1617	0.642	4	107.1660	0.248	6	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cu<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.1745	0.035	2	107.1660	0.248	6	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Fe<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.1430	0.000	1	107.4142	0.167	6	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.4684	0.432	5	107.4142	0.167	6	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.9350	0.000	1	107.9350	0.000	1	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Mn<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	106.8800	0.000	1	106.7885	1.622	8	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Mn<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	106.6845	1.483	6	106.7885	1.622	8	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Mn<8>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<8>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.3210	0.000	1	106.7885	1.622	8	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	106.7403	0.982	12	106.8468	1.217	16	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ni<7>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<7>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.1665	1.539	4	106.8468	1.217	16	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.3360	0.000	1	107.3360	0.000	1	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.5817	1.056	4	107.2888	0.877	6	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ru<9>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	106.7030	0.091	2	107.2888	0.877	6	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Zn<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.3150	0.000	1	106.8079	0.128	10	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	106.4480	0.000	1	106.8079	0.128	10	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	106.7895	0.331	8	106.8079	0.128	10	106.9801	0.720	72	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]In[5])(C[6a]C[6a]N[6a])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|In<5>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|In<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]In[5])(C[6a]C[6a]N[6a])(N[5]C[5,6a]H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	105.8770	0.102	2	105.8770	0.010	2	105.8770	0.010	2	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCH){2|C<3>}	110.1460	0.000	1	110.1460	0.000	1	108.0334	1.509	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]H)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]H)(CCC){4|C<3>}	110.7780	0.000	1	110.7780	0.000	1	108.0334	1.509	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cd<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(COO){2|C<3>}	107.7370	0.905	2	107.7370	0.819	2	108.0334	1.509	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CCH){2|C<3>}	108.0097	0.687	6	108.0097	0.473	6	108.0334	1.509	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CCO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CCO){2|C<3>}	106.4076	0.778	5	106.4076	0.605	5	108.0334	1.509	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCN){2|C<3>}	106.9240	0.092	2	106.9240	0.008	2	108.0334	1.509	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(CC[6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Fe<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(CC[6a]C[5]){2|C<3>}	108.6910	0.396	2	108.6910	0.157	2	108.0334	1.509	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)2(CCH){2|C<3>}	109.2140	0.376	2	109.2140	0.142	2	108.0334	1.509	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(COO){2|C<3>}	109.0168	0.341	6	109.0168	0.116	6	108.0334	1.509	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]H)(CCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]H)(CCN){2|C<3>}	107.6410	0.000	1	107.6410	0.000	1	108.0334	1.509	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(COO){2|C<3>}	107.6765	0.073	2	107.6765	0.005	2	108.0334	1.509	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(COO){2|C<3>}	107.0740	0.000	1	107.0740	0.000	1	108.0334	1.509	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CNO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CNO){2|C<3>}	106.7480	0.000	1	106.7480	0.000	1	108.0334	1.509	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Cd<5>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	107.2400	0.153	2	107.2400	0.023	2	107.2364	0.904	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Co<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	106.9179	0.351	10	106.9179	0.123	10	107.2364	0.904	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Eu)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Eu<13>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Eu<13>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Eu)(N[5]C[5,6a]H)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	107.6550	1.274	4	107.6550	1.622	4	107.2364	0.904	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Gd)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Gd<15>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Gd<15>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Gd)(N[5]C[5,6a]H)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	107.3690	0.000	1	107.3690	0.000	1	107.2364	0.904	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(C[5]N[5]2){2|H<1>,4|C<3>}	108.7495	0.009	2	108.7495	0.000	2	107.2364	0.904	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ir<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	105.9065	0.364	2	107.3662	2.915	6	107.2364	0.904	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ir<8>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	108.0960	1.638	4	107.3662	2.915	6	107.2364	0.904	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Mn<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	106.9355	0.046	2	106.9355	0.002	2	107.2364	0.904	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ni<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	106.8497	0.083	3	106.8497	0.007	3	107.2364	0.904	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ru<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	106.6150	0.000	1	106.6150	0.000	1	107.2364	0.904	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Tb)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Tb<15>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Tb<15>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Tb)(N[5]C[5,6a]H)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	107.1870	0.000	1	107.1870	0.000	1	107.2364	0.904	32	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[5a]N[5a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[5a]N[5a]2){4|C<3>}	106.7830	0.000	1	106.7830	0.000	1	107.2651	0.692	7	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[5a]N[5a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(C[5a]N[5a]2){1|H<1>,4|C<3>}	108.4125	0.139	2	108.4125	0.019	2	107.2651	0.692	7	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[5a]N[5a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[5a]N[5a]2){4|C<3>}	106.9700	0.271	3	106.9700	0.074	3	107.2651	0.692	7	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[5a]N[5a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Zn<5>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[5a]N[5a]2){1|O<2>,3|C<3>}	106.3380	0.000	1	106.3380	0.000	1	107.2651	0.692	7	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2){2|H<1>,4|C<3>}	109.0000	0.000	1	109.0000	0.000	1	108.8298	2.011	20	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	109.1106	1.204	8	108.9546	1.887	18	108.8298	2.011	20	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(C[6]C[6]2){2|H<1>,4|C<3>}	108.8297	1.548	10	108.9546	1.887	18	108.8298	2.011	20	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ir<8>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[6]C[6]2){1|H<1>,4|C<3>}	106.4140	0.000	1	106.4140	0.000	1	108.8298	2.011	20	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){2|H<1>,5|C<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.8330	0.406	2	108.8330	0.165	2	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Be)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Be<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Be<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Be)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	107.3690	0.000	1	107.3690	0.000	1	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	108.7420	0.000	1	109.1408	0.372	6	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	109.5560	0.000	1	109.1408	0.372	6	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	108.1330	0.000	1	109.1408	0.372	6	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.4713	0.303	3	109.1408	0.372	6	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cd<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.4460	0.000	1	107.8630	0.348	2	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cd<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	108.2800	0.000	1	107.8630	0.348	2	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Co<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	108.8313	0.559	6	108.8313	0.313	6	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cu<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<2>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.3020	0.000	1	108.4206	0.045	8	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cu<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	108.2690	0.122	3	108.4206	0.045	8	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cu<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	108.4697	0.079	3	108.4206	0.045	8	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cu<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	108.8470	0.000	1	108.4206	0.045	8	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.0130	0.000	1	109.1125	1.327	31	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	109.0020	0.182	2	109.1125	1.327	31	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	110.0135	0.352	4	109.1125	1.327	31	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	108.4095	0.146	4	109.1125	1.327	31	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|S<4>,4|C<3>}	108.8525	0.036	2	109.1125	1.327	31	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	108.7327	1.971	6	109.1125	1.327	31	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.3064	1.095	12	109.1125	1.327	31	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	108.0030	0.062	2	108.0030	0.004	2	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Mn<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	107.6960	0.000	1	107.6960	0.000	1	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Mo<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>}	107.2080	0.000	1	107.2080	0.000	1	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ni<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	108.9240	0.000	1	108.6882	0.046	4	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ni<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|F<1>,4|C<3>}	108.7080	0.068	2	108.6882	0.046	4	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ni<5>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	108.4130	0.000	1	108.6882	0.046	4	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pt<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	107.1560	0.000	1	107.3724	0.169	9	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pt<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	107.3995	0.431	8	107.3724	0.169	9	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ru<9>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	107.6750	0.000	1	107.6750	0.000	1	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Zn<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<4>,4|C<3>}	108.3330	0.000	1	108.2384	0.389	10	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Zn<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	108.3213	0.762	6	108.2384	0.389	10	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Zn<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	108.2975	0.199	2	108.2384	0.389	10	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Zn<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.5280	0.000	1	108.2384	0.389	10	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.6410	0.000	1	108.6410	0.000	1	108.5784	0.969	85	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Co<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(NCH){2|C<3>}	107.3850	0.000	1	107.3850	0.000	1	108.6931	0.510	82	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(NCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Co<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(NCN){2|C<3>}	106.6290	0.000	1	106.6290	0.000	1	108.6931	0.510	82	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(NCH){2|C<3>}	107.0390	0.000	1	107.0390	0.000	1	108.6931	0.510	82	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(NCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Fe<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(NCN){2|C<3>}	106.4490	0.000	1	106.4490	0.000	1	108.6931	0.510	82	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]H)2(NCH){2|C<3>}	107.9930	0.000	1	108.6336	0.358	26	108.6931	0.510	82	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(NCH){2|C<3>}	108.6710	0.616	23	108.6336	0.358	26	108.6931	0.510	82	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)2(NCH){2|C<3>}	108.5235	0.356	2	108.6336	0.358	26	108.6931	0.510	82	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(NCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(NCN){2|C<3>}	108.9764	0.665	8	108.9764	0.442	8	108.6931	0.510	82	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(NHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](N[5]C[5,6a]H)2(NHH){2|C<3>}	108.9504	0.290	41	108.9482	0.082	42	108.6931	0.510	82	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(NHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(NHH){2|C<3>}	108.8600	0.000	1	108.9482	0.082	42	108.6931	0.510	82	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(NCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Mn<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<5>,1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(NCN){2|C<3>}	106.7950	0.000	1	106.7950	0.000	1	108.6931	0.510	82	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Ru<8>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(NCH){2|C<3>}	106.4310	0.000	1	106.4310	0.000	1	108.6931	0.510	82	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(H){1|Ru<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(N[5]C[5]2){1|H<1>,1|N<3>,3|C<3>}	105.4658	0.325	6	105.4658	0.106	6	105.4658	0.106	6	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Rh)(N[5]C[5,6a]H)(SRh2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Rh<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Rh<6>,1|C<3>,1|S<3>,2|H<1>}	C[5](N[5]C[5,6a]Rh)(N[5]C[5,6a]H)(SRh2){2|C<3>}	107.6910	0.000	1	107.6910	0.000	1	107.6910	0.000	1	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	P[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](P[5]C[5,6a]Hg)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|Hg<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]Hg)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	115.4040	0.000	1	115.4040	0.000	1	115.2870	0.027	2	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	P[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](P[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|Mo<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	115.1700	0.000	1	115.1700	0.000	1	115.2870	0.027	2	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]H)2{1|H<1>,4|C<3>}	108.3050	0.000	1	108.1770	0.033	2	108.1770	0.033	2	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]H)2{1|H<1>,4|C<3>}	108.0490	0.000	1	108.1770	0.033	2	108.1770	0.033	2	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]C[5]H){1|N<2>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.7340	0.000	1	108.7340	0.000	1	108.6366	0.067	5	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){2|H<1>,5|C<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.6123	0.293	4	108.6123	0.086	4	108.6366	0.067	5	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	109.7730	0.000	1	109.7730	0.000	1	109.4265	0.240	2	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H){2|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.0800	0.000	1	109.0800	0.000	1	109.4265	0.240	2	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5a]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5a]N[5a,6a]C[5a])(C[5]N[5,6a]H)(N[5]C[5,6a]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5a]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5a]N[5a,6a]C[5a])(C[5]N[5,6a]H)(N[5]C[5,6a]H){1|N<3>,1|O<1>,4|C<3>}	109.6800	0.643	2	109.6800	0.414	2	109.6800	0.414	2	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){1|Cl<1>,1|F<1>,4|C<3>}	108.8775	0.180	2	109.1282	0.201	12	109.1282	0.201	12	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	109.0310	0.343	4	109.1282	0.201	12	109.1282	0.201	12	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|F<1>,4|C<3>}	109.0110	0.460	4	109.1282	0.201	12	109.1282	0.201	12	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.8075	0.210	2	109.1282	0.201	12	109.1282	0.201	12	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]O)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	108.2030	1.942	424	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:As-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(As)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As)	C[5](N[5]C[5,6a]As)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(As){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]As)(N[5]C[5,6a]C)(CHHN){2|C<3>}	107.2475	0.681	2	107.2475	0.464	2	107.2475	0.464	2	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:Ge-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(Ge)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(Ge){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	107.2390	0.000	1	107.2390	0.000	1	107.2390	0.000	1	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CH3){2|C<3>}	108.4990	0.998	2	108.4990	0.997	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cr)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cr<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|Cr<6>,1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]Cr)(N[5]C[5,6a]H)(CHHN){2|C<3>}	107.2670	0.000	1	107.2670	0.000	1	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ag<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]H)(CCHH){2|C<3>}	107.9647	0.645	3	107.9647	0.416	3	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH){2|C<3>}	109.5945	0.655	2	109.6410	0.159	5	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH){2|C<3>}	109.6720	0.316	3	109.6410	0.159	5	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHO){2|C<3>}	108.5200	0.000	1	108.5200	0.000	1	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CHHN){2|C<3>}	108.5720	0.000	1	108.5720	0.000	1	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CN[5]HH){2|C<3>}	109.6090	0.673	2	109.6090	0.453	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cd<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CC[5]HH){2|C<3>}	108.6370	0.000	1	108.6370	0.000	1	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CH3){2|C<3>}	109.0445	0.149	2	108.7413	0.143	4	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cd<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CH3){2|C<3>}	108.4380	0.197	2	108.7413	0.143	4	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cd<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CHHN){2|C<3>}	107.2030	0.000	1	107.2030	0.000	1	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CCHH){2|C<3>}	108.4460	0.119	2	108.3792	0.030	4	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<7>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<7>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CCHH){2|C<3>}	108.3125	0.241	2	108.3792	0.030	4	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN){2|C<3>}	107.8167	0.170	3	107.3306	0.375	8	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN){2|C<3>}	107.0390	0.599	5	107.3306	0.375	8	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHO){2|C<3>}	107.2017	0.228	3	107.2017	0.052	3	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cr)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cr<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cr)(N[5]C[5,6a]H)(CHHN){2|C<3>}	108.0234	0.641	5	108.0234	0.411	5	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCHH){2|C<3>}	108.4682	0.420	6	108.5852	0.183	11	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCHH){2|C<3>}	108.9190	0.317	3	108.5852	0.183	11	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCHH){2|C<3>}	108.4355	0.531	2	108.5852	0.183	11	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CC[5]HH){2|C<3>}	108.7200	0.000	1	108.7200	0.000	1	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CH3){2|C<3>}	108.3750	0.000	1	108.6865	0.194	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CH3){2|C<3>}	108.9980	0.000	1	108.6865	0.194	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN){2|C<3>}	107.7470	0.451	2	107.9603	0.209	17	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<3>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN){2|C<3>}	107.8328	0.370	4	107.9603	0.209	17	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN){2|C<3>}	108.0455	0.499	11	107.9603	0.209	17	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHO){2|C<3>}	107.4546	0.736	5	107.6342	0.627	6	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHO){2|C<3>}	108.5320	0.000	1	107.6342	0.627	6	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHS){2|C<3>}	107.7630	0.074	2	107.7630	0.005	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Eu)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Eu<13>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Eu<13>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Eu)(N[5]C[5,6a]H)(CHHN){2|C<3>}	109.5020	0.000	1	109.5020	0.000	1	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Fe<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(CH3){2|C<3>}	107.8640	2.004	2	107.8640	4.016	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Fe<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(CHHN){2|C<3>}	107.9098	0.682	8	107.9098	0.465	8	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]H)2(CCHH){2|C<3>}	109.1209	0.531	69	109.1209	0.282	69	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(CCHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]H)2(CCHO){2|C<3>}	109.0300	0.740	17	108.9956	0.537	18	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(CCHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]H)2(CCHO){2|C<3>}	108.4110	0.000	1	108.9956	0.537	18	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(CClHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]H)2(CClHH){2|C<3>}	109.0835	0.320	2	109.0835	0.103	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(CF3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]H)2(CF3){2|C<3>}	108.5550	0.071	4	108.5550	0.005	4	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]H)2(CH3){2|C<3>}	109.5427	0.594	22	109.5427	0.352	22	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]H)2(CHHN){2|C<3>}	109.0703	0.702	66	109.0703	0.493	66	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]H)2(CHHO){2|C<3>}	109.1227	0.381	4	109.1227	0.145	4	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(CHHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]H)2(CHHS){2|C<3>}	108.5590	0.082	2	108.5590	0.007	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(CHOO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]H)2(CHOO){2|C<3>}	108.6235	0.045	2	108.6235	0.002	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]H)(CHHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]H)(CHHS){2|C<3>}	108.3587	0.152	3	108.3285	0.019	4	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]H)(CHHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,1|C<3>,1|H<1>,2|C<4>}	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]H)(CHHS){2|C<3>}	108.2380	0.000	1	108.3285	0.019	4	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(CCHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(CCHO){2|C<3>}	107.5535	0.416	12	107.5535	0.173	12	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(CHHN){2|C<3>}	107.3861	0.532	20	107.3861	0.284	20	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Mo)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Mo<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Mo)(N[5]C[5,6a]H)(CHHN){2|C<3>}	107.1380	0.000	1	107.1380	0.000	1	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHH){2|C<3>}	108.0812	0.121	4	108.0812	0.015	4	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHO){2|C<3>}	107.8820	0.180	2	107.8820	0.032	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CC[5]HH){2|C<3>}	108.0680	0.243	2	108.0680	0.059	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CHHN){2|C<3>}	107.3839	0.540	11	107.3839	0.292	11	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CHHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CHHS){2|C<3>}	107.5623	0.219	4	107.5623	0.048	4	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(CCHH){2|C<3>}	108.9987	0.920	3	108.9987	0.846	3	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(CN[5a]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(CN[5a]N[5]H){2|C<3>}	107.8660	0.335	2	107.8660	0.112	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CCHH){2|C<3>}	109.3086	0.518	7	109.3086	0.268	7	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CC[6a]HH){2|C<3>}	108.8455	0.299	2	108.8455	0.089	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CHHN){2|C<3>}	107.8780	0.490	4	107.8780	0.241	4	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CHHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CHHS){2|C<3>}	107.4700	0.000	1	108.0315	0.631	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CHHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|H<1>,2|C<4>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CHHS){2|C<3>}	108.5930	0.000	1	108.0315	0.631	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CN[5a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CN[5a]HH){2|C<3>}	108.0175	0.397	2	108.0175	0.157	2	108.5907	0.815	362	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	109.4755	0.265	2	109.4755	0.070	2	109.4755	0.070	2	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(CH3)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(CH3){4|C<3>}	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	108.5876	0.826	368	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5a]-3:C[5]-4:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H){1|H<1>,5|C<3>}	106.4820	0.000	1	106.4820	0.000	1	106.4820	0.000	1	106.4820	0.000	1	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	112.6560	0.000	1	112.4505	0.084	2	111.4191	6.507	9	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,4|C<3>}	112.2450	0.000	1	112.4505	0.084	2	111.4191	6.507	9	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O){1|C<4>,2|H<1>,3|C<3>}	109.3750	6.268	2	111.0104	12.223	5	111.4191	6.507	9	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O){2|C<3>,4|H<1>}	111.7500	0.000	1	111.0104	12.223	5	111.4191	6.507	9	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(O){2|H<1>,4|C<3>}	112.2760	0.713	2	111.0104	12.223	5	111.4191	6.507	9	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>}	111.1650	0.000	1	111.4095	0.120	2	111.4191	6.507	9	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>}	111.6540	0.000	1	111.4095	0.120	2	111.4191	6.507	9	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[4,5]C[5,6a]C[4,6]C[4])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4,6]C[4])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	112.0990	0.731	2	112.0990	0.535	2	112.0306	0.150	8	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]H)(O){1|H<1>,5|C<3>}	112.0078	0.318	6	112.0078	0.101	6	112.0306	0.150	8	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,4|C<4>}	111.7510	0.000	1	111.7510	0.000	1	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	111.6140	0.198	2	111.6140	0.039	2	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<2>,1|O<2>,5|C<3>}	112.7190	0.675	2	111.2795	3.235	4	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,4|C<4>}	109.8400	0.980	2	111.2795	3.235	4	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	112.0200	0.000	1	112.0200	0.000	1	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>,3|C<4>}	111.2515	0.310	2	111.2515	0.096	2	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,4|C<4>}	111.2630	0.000	2	111.6023	0.345	3	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	112.2810	0.000	1	111.6023	0.345	3	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	111.3790	0.000	1	111.3790	0.000	1	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(O){1|H<1>,5|C<3>}	112.0060	0.220	3	112.0060	0.049	3	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	111.5540	0.000	1	111.5540	0.000	1	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	112.2330	0.000	1	112.2330	0.000	1	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<2>,1|C<4>,5|C<3>}	111.4990	0.000	1	111.9905	0.320	24	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	112.1076	0.683	14	111.9905	0.320	24	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|C<2>,4|C<3>}	111.8690	0.000	1	111.9905	0.320	24	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	111.6960	0.247	2	111.9905	0.320	24	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	111.8014	0.206	5	111.9905	0.320	24	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<2>,6|C<3>}	112.4980	0.000	1	111.9905	0.320	24	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>,3|C<4>}	112.2220	0.000	2	112.0172	0.114	9	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	111.7858	0.248	5	112.0172	0.114	9	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	112.3910	0.178	2	112.0172	0.114	9	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,6])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	111.6230	0.000	1	111.6130	0.000	2	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,6])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	111.6030	0.000	1	111.6130	0.000	2	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|N<3>,6|C<3>}	111.8870	0.000	1	112.0559	0.059	39	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>,3|C<4>}	112.0900	0.268	22	112.0559	0.059	39	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,5|C<3>}	112.0570	0.000	1	112.0559	0.059	39	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	111.7270	0.000	1	112.0559	0.059	39	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	112.0377	0.209	14	112.0559	0.059	39	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]H)(O){1|N<3>,5|C<3>}	111.8890	0.000	1	111.8890	0.000	1	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.6000	0.000	1	111.6063	0.080	16	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	111.6386	0.321	9	111.6063	0.080	16	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.7370	0.000	1	111.6063	0.080	16	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	111.5180	0.000	1	111.6063	0.080	16	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.5247	0.323	4	111.6063	0.080	16	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	111.7080	0.279	3	111.5956	0.165	10	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	111.5474	0.461	7	111.5956	0.165	10	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	112.1015	0.285	2	112.1015	0.081	2	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	112.0310	0.290	3	111.8181	0.190	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	111.8423	0.453	25	111.8181	0.190	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	111.4625	0.377	2	111.8181	0.190	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	111.5510	0.318	2	111.8181	0.190	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	112.2548	0.374	4	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	111.6590	0.000	1	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	111.9110	0.000	1	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.1760	0.000	1	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	112.6360	0.000	1	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	111.5387	0.757	4	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.1870	0.000	1	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	111.8630	0.243	4	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.8380	0.464	3	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	112.5350	0.000	1	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	111.9660	0.000	1	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	111.2500	0.000	1	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	111.4850	0.000	1	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	111.5170	0.000	1	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	111.9690	0.000	1	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<4>,3|C<3>,3|H<1>}	111.6370	0.251	4	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	111.3640	0.397	2	111.8346	0.218	32	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	111.7960	0.000	1	111.9136	0.097	44	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|C<2>,2|C<3>,4|C<4>}	111.9630	0.000	1	111.9136	0.097	44	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|C<2>,3|C<3>,3|C<4>}	112.0615	0.151	2	111.9136	0.097	44	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	111.8935	0.073	2	111.9136	0.097	44	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,1|S<4>,5|C<3>}	111.8520	0.000	1	111.9136	0.097	44	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	111.8209	0.327	9	111.9136	0.097	44	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|N<2>,2|H<1>,4|C<3>}	111.9820	0.572	3	111.9136	0.097	44	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,4|C<4>}	112.2963	0.342	4	111.9136	0.097	44	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	111.6186	0.178	5	111.9136	0.097	44	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,5|C<3>}	111.9510	0.156	5	111.9136	0.097	44	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	111.9738	0.287	10	111.9136	0.097	44	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	111.5710	0.000	1	111.9136	0.097	44	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){1|C<4>,1|O<2>,2|C<2>,2|C<3>}	111.9405	0.349	4	111.9247	0.098	7	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	111.5390	0.000	1	111.9247	0.098	7	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){5|C<3>}	112.0860	0.147	2	111.9247	0.098	7	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	111.7837	0.352	17	111.8134	0.125	27	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,4|C<4>}	111.4680	0.042	2	111.8134	0.125	27	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	111.9595	0.313	2	111.8134	0.125	27	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	111.8670	0.173	2	111.8134	0.125	27	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	112.2415	0.282	2	111.8134	0.125	27	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	111.7840	0.624	2	111.8134	0.125	27	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	111.9758	0.234	4	111.9758	0.055	4	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]H)(O){1|C<4>,3|C<3>}	111.9550	0.000	1	111.9550	0.000	1	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O){1|C<4>,4|C<3>}	112.0830	0.000	1	111.5977	0.186	3	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O){1|H<1>,4|C<3>}	111.3550	0.137	2	111.5977	0.186	3	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	111.9880	0.120	3	111.9880	0.014	3	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,4|C<4>}	110.7710	0.042	3	110.7710	0.002	3	111.8494	0.203	278	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|S<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(S){6|C<3>}	113.0550	0.000	1	113.0550	0.000	1	113.0550	0.000	1	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,4|C<3>}	111.4770	0.000	1	111.4770	0.000	1	111.7140	0.112	2	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6,6]C[5,6a]C[3x6]S[6,6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]S[6,6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.9510	0.000	1	111.9510	0.000	1	111.7140	0.112	2	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	111.5820	0.000	1	111.5820	0.000	1	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,5|C<3>}	112.0145	0.197	2	112.0145	0.039	2	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,1|S<4>,4|C<3>}	112.1200	0.000	1	112.1200	0.000	1	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]H)(O){1|N<3>,2|C<4>,4|C<3>}	112.0882	0.248	6	112.0882	0.061	6	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	111.8255	0.299	6	111.8255	0.089	6	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	112.7885	0.988	2	112.8279	3.236	8	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,5|C<3>}	111.5690	0.000	1	112.8279	3.236	8	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	113.0954	2.221	5	112.8279	3.236	8	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,2|C<2>,4|C<3>}	112.4270	0.000	1	111.8594	0.291	5	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,1|S<4>,4|C<3>}	111.2180	0.000	1	111.8594	0.291	5	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	111.7210	0.520	2	111.8594	0.291	5	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){6|C<3>}	112.2100	0.000	1	111.8594	0.291	5	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]2)(N[5]C[5,6a]H)(O){6|C<3>}	112.4775	0.288	4	112.4775	0.083	4	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	112.0730	0.000	1	112.0730	0.000	1	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,5|C<3>}	111.9560	0.000	1	111.7828	0.024	5	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<4>,2|H<1>,4|C<3>}	111.6440	0.038	2	111.7828	0.024	5	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	111.7360	0.000	1	111.7828	0.024	5	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	111.9340	0.000	1	111.7828	0.024	5	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	112.0610	0.000	1	112.1686	0.161	17	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	112.2110	0.000	1	112.1686	0.161	17	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,2|H<1>,5|C<3>}	112.4430	0.000	1	112.1686	0.161	17	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	112.0600	0.000	1	112.1686	0.161	17	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	112.6340	0.000	1	112.1686	0.161	17	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){2|C<2>,2|H<1>,4|C<3>}	112.8710	0.000	1	112.1686	0.161	17	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	112.2350	0.000	1	112.1686	0.161	17	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	112.0540	0.279	3	112.1686	0.161	17	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|N<3>,5|C<3>}	112.2035	0.308	4	112.1686	0.161	17	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){6|C<3>}	111.7920	0.653	3	112.1686	0.161	17	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>,2|H<1>}	112.0900	0.146	2	112.1003	0.011	3	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O){2|H<1>,4|C<3>}	112.1210	0.000	1	112.1003	0.011	3	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]S[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5](C[5,6]C[5,6a]C[6]S[6])(N[5]C[5,6a]H)(O){1|H<1>,2|C<4>,3|C<3>}	112.0760	0.243	2	112.0760	0.059	2	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	112.3645	0.161	2	112.3645	0.026	2	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	111.6840	0.000	1	111.6840	0.000	1	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6]C[5,6a]O[6]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6a]O[6]2)(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	111.9050	0.000	1	111.9050	0.000	1	112.1487	0.535	65	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O){2|C<3>}	110.5560	0.000	1	110.5560	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	111.7690	0.000	1	111.7690	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O){6|C<3>}	111.3775	0.021	2	111.3775	0.000	2	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	111.1183	0.744	3	111.1183	0.554	3	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){1|N<2>,3|C<3>}	112.1170	0.000	1	112.1170	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	111.8105	0.022	2	111.8105	0.000	2	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	111.3890	0.000	1	111.3890	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	111.1780	0.000	1	111.1780	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	111.9310	0.000	1	112.0245	0.096	11	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	111.8930	0.000	1	112.0245	0.096	11	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	112.0106	0.330	7	112.0245	0.096	11	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	112.1860	0.475	2	112.0245	0.096	11	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]H)(O){2|C<3>}	111.6850	0.000	1	111.6850	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	111.7397	0.325	6	111.9694	0.174	10	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	112.4187	0.236	3	111.9694	0.174	10	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	112.0000	0.000	1	111.9694	0.174	10	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	111.6190	0.000	1	111.6411	0.096	9	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	111.7558	0.296	6	111.6411	0.096	9	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	111.1960	0.000	1	111.6411	0.096	9	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	111.4200	0.000	1	111.6411	0.096	9	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	111.6940	0.000	1	111.6084	0.112	34	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	111.5862	0.341	31	111.6084	0.112	34	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	111.8460	0.000	1	111.6084	0.112	34	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	111.9710	0.000	1	111.6084	0.112	34	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]H)(O){2|C<3>}	112.0950	0.000	1	112.0950	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O){4|C<3>}	112.0240	0.378	2	111.8603	0.152	3	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	111.5330	0.000	1	111.8603	0.152	3	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	111.5325	0.093	2	111.4697	0.016	3	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O){1|O<2>,4|C<3>}	111.3440	0.000	1	111.4697	0.016	3	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|C<4>,1|F<1>,3|C<3>}	111.9640	0.000	1	111.9184	0.137	7	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|F<1>,2|C<3>,2|C<4>}	112.1600	0.000	1	111.9184	0.137	7	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|H<1>,1|N<3>,3|C<3>}	111.3880	0.000	1	111.9184	0.137	7	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|H<1>,4|C<3>}	111.4760	0.000	1	111.9184	0.137	7	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|O<2>,4|C<3>}	112.0950	0.330	2	111.9184	0.137	7	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){2|C<4>,3|C<3>}	112.2510	0.000	1	111.9184	0.137	7	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5]S)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]S)(N[5]C[5,6a]H)(O){4|C<3>}	111.7360	0.000	1	111.7360	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]H)(O){6|C<3>}	112.7130	0.000	1	112.7130	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O){1|N<3>,3|C<3>}	112.1180	0.000	1	111.7717	0.077	4	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O){4|C<3>}	111.6563	0.190	3	111.7717	0.077	4	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,5|C<3>}	112.0930	0.095	2	112.0930	0.009	2	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	111.7145	0.270	6	111.7145	0.073	6	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]H)(O){1|N<2>,1|N<3>,2|C<3>}	112.2450	0.000	1	112.2450	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O){1|N<2>,1|N<3>,2|C<3>}	112.0160	0.000	1	111.6815	0.224	2	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O){4|C<3>}	111.3470	0.000	1	111.6815	0.224	2	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]H)(O){1|C<4>,4|C<3>}	111.9860	0.000	1	111.9860	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]H)(O){1|H<1>,4|C<3>}	112.2390	0.513	4	112.2390	0.264	4	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	111.5570	0.259	2	111.5570	0.067	2	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O){6|C<3>}	111.8570	0.000	1	111.6424	0.059	5	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O){6|C<3>}	111.5888	0.243	4	111.6424	0.059	5	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){1|N<2>,3|C<3>}	112.6720	0.000	1	112.0592	0.207	6	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	111.8645	0.400	4	112.0592	0.207	6	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	112.2250	0.000	1	112.0592	0.207	6	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	111.7530	0.000	1	111.7530	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]H)(O){4|C<3>}	111.5290	0.000	1	111.5290	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O){4|C<3>}	111.7280	0.000	1	111.5615	0.055	2	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O){4|C<3>}	111.3950	0.000	1	111.5615	0.055	2	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O){2|C<3>}	112.0305	0.100	2	112.1622	0.048	5	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O){2|C<3>}	112.2500	0.250	3	112.1622	0.048	5	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|F<1>,2|H<1>}	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O){2|C<3>}	111.8640	0.320	4	111.8640	0.103	4	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(O){2|C<3>}	111.7404	0.200	16	111.7348	0.038	17	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(O){2|C<3>}	111.6440	0.000	1	111.7348	0.038	17	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]H)(O){2|C<3>}	111.8000	0.000	1	111.8000	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]H)(O){2|C<3>}	111.9020	0.000	1	111.9020	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]NS)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6a]NS)(N[5]C[5,6a]H)(O){2|C<3>}	112.6900	0.000	2	112.6900	0.000	2	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|C<3>}	112.2310	0.000	1	112.2310	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]H)(O){1|N<3>,3|C<3>}	112.6770	0.000	1	112.6770	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]N[5a]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]C[6])(N[5]C[5,6a]H)(O){1|N<2>,5|C<3>}	111.7480	0.000	1	111.7480	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]OO)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6a]OO)(N[5]C[5,6a]H)(O){2|C<3>}	111.7560	0.116	2	111.7560	0.013	2	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]SS)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|S<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	C[5](C[5]C[5,6a]SS)(N[5]C[5,6a]H)(O){2|C<3>}	112.2310	0.000	1	112.2310	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|I<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	111.4240	0.011	2	111.4240	0.000	2	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|I<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,3|C<3>}	112.2300	0.000	1	112.2300	0.000	1	111.7889	0.161	169	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(S){2|C<3>}	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H){2|C<3>}	109.6700	0.000	1	109.6700	0.000	1	109.6700	0.000	1	111.8610	0.349	534	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(NS){2|C<3>,4|H<1>}	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	111.5386	0.126	5	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(NS){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	111.5386	0.126	5	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(NC[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(NC[6a]){2|C<3>}	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	111.5386	0.126	5	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]H)(OMo)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]H)(OMo){2|C<3>}	111.7310	0.214	2	111.7310	0.046	2	111.7310	0.046	2	111.5386	0.126	5	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]C)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]H)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]H)(CCH){2|H<1>,4|C<3>}	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|O<1>,3|C<4>,4|C<3>}	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H){1|N<3>,1|O<1>,6|C<3>}	113.2960	0.000	1	113.2960	0.000	1	113.2960	0.000	1	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC){2|C<3>}	112.7570	0.000	1	112.7570	0.000	1	112.0760	0.251	13	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC){2|C<3>}	111.4580	0.000	1	111.4580	0.000	1	112.0760	0.251	13	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC){2|C<3>}	112.3893	0.229	3	112.3893	0.053	3	112.0760	0.251	13	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCH){2|C<3>}	112.1370	0.000	1	112.1370	0.000	1	112.0760	0.251	13	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCN){2|C<3>}	112.5345	0.176	2	112.5345	0.031	2	112.0760	0.251	13	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4]H){2|C<3>}	111.8230	0.225	3	111.8230	0.051	3	112.0760	0.251	13	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4a]H){2|C<3>}	111.8360	0.000	1	111.8360	0.000	1	112.0760	0.251	13	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|F<1>,2|H<1>}	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(CCH){2|C<3>}	111.0940	0.000	1	111.0940	0.000	1	112.0760	0.251	13	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(C[6]C[6]2){2|O<1>,2|O<2>,4|C<3>}	112.7485	0.142	2	112.7485	0.020	2	112.7485	0.020	2	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5]H)(N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5,6a]H)2{2|C<3>,2|C<4>,4|H<1>}	109.1840	0.193	4	109.1840	0.037	4	108.9044	0.419	5	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5]H)(N[5]C[5,6a]Zn)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Zn<4>,1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5,6a]Zn)(N[5]C[5,6a]H){2|C<3>,2|C<4>,3|H<1>}	107.7860	0.000	1	107.7860	0.000	1	108.9044	0.419	5	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	111.6400	3.190	2	111.6400	10.179	2	111.6400	10.179	2	111.3245	2.728	25	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:Se[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CC)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S){2|C<3>}	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(NC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(S){2|C<3>}	110.2580	0.000	1	110.2580	0.000	1	110.2580	0.000	1	112.3890	3.410	3	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]O)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]O)(O){2|C<3>}	113.4545	0.095	2	113.4545	0.009	2	113.4545	0.009	2	112.3890	3.410	3	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(NN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(NN){2|C<3>}	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC){1|Ge<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	107.6120	0.000	1	107.6120	0.000	1	107.6120	0.000	1	107.6120	0.000	1	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]O)	C[5](C[5,6]C[5,5,6]C[5,6a]C[6,6])(N[5]C[5,6a]O)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6a]C[6,6])(N[5]C[5,6a]O)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	112.9510	0.000	1	112.9510	0.000	1	112.9510	0.000	1	113.1010	0.176	3	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]O)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]O)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	113.1760	0.564	2	113.1760	0.318	2	113.1760	0.318	2	113.1010	0.176	3	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:N[6a]-2:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	C[5](N[5]C[5,6a]C[6a])(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<1>,2|C<3>}	C[5](N[5]C[5,6a]C[6a])(S[5]C[5,6a])(S){1|N<2>,3|C<3>}	114.5840	0.000	1	114.5090	0.229	4	114.5090	0.229	4	114.5090	0.229	4	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:N[6a]-2:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	C[5](N[5]C[5,6a]C[6a])(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,1|S<1>,2|C<3>}	C[5](N[5]C[5,6a]C[6a])(S[5]C[5,6a])(S){1|N<2>,3|C<3>}	113.8270	0.000	1	114.5090	0.229	4	114.5090	0.229	4	114.5090	0.229	4	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:N[6a]-2:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	C[5](N[5]C[5,6a]C[6a])(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|S<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(S[5]C[5,6a])(S){1|N<2>,3|C<3>}	114.8125	0.182	2	114.5090	0.229	4	114.5090	0.229	4	114.5090	0.229	4	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:N[6a]-2:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O){2|C<3>,2|N<2>}	110.4014	0.358	5	110.4014	0.128	5	110.4014	0.128	5	110.4014	0.128	5	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a])	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]CH)(O)	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]CH)(O){1|N<2>,3|C<3>}	110.5800	0.389	2	110.5800	0.151	2	110.5800	0.151	2	110.5800	0.151	2	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:B[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]N[5,6])(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]B[6])(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]N[5,6])(C[5]S[5]S){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]B[6])(S[5]C[5,6a])(S){2|C<3>,2|N<3>}	113.0630	0.714	2	113.0630	0.510	2	113.0630	0.510	2	113.0252	9.658	6	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a])(O){2|C<3>}	109.4390	0.000	1	109.4390	0.000	1	109.4390	0.000	1	113.0252	9.658	6	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CNS)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CNS){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	115.9440	0.000	1	115.9440	0.000	1	115.9440	0.000	1	113.0252	9.658	6	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:Se[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S){2|C<3>}	116.9420	0.000	1	116.9420	0.000	1	116.9420	0.000	1	113.0252	9.658	6	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a])(O){1|C<4>,3|C<3>}	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	113.0252	9.658	6	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:B-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]2)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SSb)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]2){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SSb){2|C<3>}	111.6180	1.563	6	111.6180	2.443	6	111.7526	2.313	10	111.9838	2.670	11	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:B-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]Ru)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]Ru){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SRu){2|C<3>}	111.9545	1.666	4	111.9545	2.776	4	111.7526	2.313	10	111.9838	2.670	11	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:S[5]-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]S[5]N)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[5a])(S[5]C[5,6a])(NH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]S[5]N){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5](N[5]C[5,6a]C[5a])(S[5]C[5,6a])(NH){1|N<2>,1|N<3>,2|C<3>}	114.2960	0.000	1	114.2960	0.000	1	114.2960	0.000	1	111.9838	2.670	11	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:S-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SNi2)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(NC[6a]Ni)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SNi2){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(NC[6a]Ni){2|C<3>}	113.3100	0.000	1	113.3100	0.000	1	113.3100	0.000	1	113.3100	0.000	1	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	108.9608	0.380	5	108.9608	0.145	5	109.4141	0.242	19	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	108.7940	0.000	1	108.7940	0.000	1	109.4141	0.242	19	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	109.2880	0.000	1	109.2880	0.000	1	109.4141	0.242	19	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CNO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	109.5260	0.000	1	109.5260	0.000	1	109.4141	0.242	19	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	109.7023	0.409	10	109.7023	0.167	10	109.4141	0.242	19	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){4|C<3>}	109.4330	0.000	1	109.4330	0.000	1	109.4141	0.242	19	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Cl<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O){6|C<3>}	110.8560	0.000	1	110.1552	0.723	4	110.1552	0.723	4	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O){6|C<3>}	108.9250	0.000	1	110.1552	0.723	4	110.1552	0.723	4	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O){6|C<3>}	110.4200	0.156	2	110.1552	0.723	4	110.1552	0.723	4	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]N[5])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[5,6a]N[5])(N[5]C[5,6a]C)(H){4|C<3>}	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[5a])(N[5]C[5,6a]Ir)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]H){1|Ir<8>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|N<2>,2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[5a])(N[5]C[5,6a]Ir)(H){1|N<2>,3|C<3>}	108.0930	0.000	1	108.0930	0.000	1	108.0930	0.000	1	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]C[5])	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|Cl<1>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O){4|C<3>}	110.8290	0.246	2	110.8290	0.061	2	110.6047	0.112	8	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(O){4|C<3>}	110.7073	0.259	3	110.7073	0.067	3	110.6047	0.112	8	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(O){4|C<3>}	110.4660	0.000	1	110.3527	0.132	3	110.6047	0.112	8	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(O){4|C<3>}	110.2960	0.495	2	110.3527	0.132	3	110.6047	0.112	8	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	108.1000	0.000	1	108.1000	0.000	1	108.2201	0.191	18	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	108.1375	0.087	2	108.0530	0.067	4	108.2201	0.191	18	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	107.6810	0.000	1	108.0530	0.067	4	108.2201	0.191	18	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	108.2560	0.000	1	108.0530	0.067	4	108.2201	0.191	18	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])2(H){6|C<3>}	108.7180	0.129	2	108.8407	0.027	4	108.2201	0.191	18	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])2(H){6|C<3>}	108.9635	0.071	2	108.8407	0.027	4	108.2201	0.191	18	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O){1|H<1>,3|C<3>,3|C<4>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){1|N<3>,3|C<3>}	107.2720	0.000	1	107.2720	0.000	1	108.2201	0.191	18	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){1|N<2>,3|C<3>}	108.0422	0.094	6	108.0422	0.009	6	108.2201	0.191	18	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]N[5]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){2|C<3>,2|N<2>}	108.3810	0.327	2	108.3810	0.107	2	108.2201	0.191	18	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(Se){4|C<3>}	110.4280	0.000	1	110.9507	0.143	4	110.9507	0.143	4	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(Se){4|C<3>}	111.1250	0.179	3	110.9507	0.143	4	110.9507	0.143	4	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]H)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]H)(H){4|C<3>}	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	109.2859	1.184	58	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	108.2890	0.339	2	108.2890	0.115	2	108.2503	0.062	3	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	108.1730	0.000	1	108.1730	0.000	1	108.2503	0.062	3	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6,6,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	C[5](C[6a]C[6,6,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir){1|C<4>,6|C<3>}	106.3220	0.000	1	106.3220	0.000	1	107.0013	0.441	3	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir){7|C<3>}	107.3410	0.436	2	107.3410	0.190	2	107.0013	0.441	3	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6]C[6]N[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Cu<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cu<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	106.4010	0.000	1	106.4010	0.000	1	106.4687	0.355	6	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]2){1|C<2>,1|H<1>,5|C<3>}	107.5960	0.000	1	107.5960	0.000	1	106.4687	0.355	6	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]N[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Ir<6>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	106.5420	0.000	1	106.5420	0.000	1	106.4687	0.355	6	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pd)(C[6]C[6]N[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pd)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	106.2190	0.000	1	106.2190	0.000	1	106.4687	0.355	6	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Zn)(C[6]C[6]N[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Zn<5>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Zn<5>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Zn)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	106.0270	0.198	2	106.0270	0.039	2	106.4687	0.355	6	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Cu<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cu<4>,1|H<1>,1|P<4>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.9485	0.301	2	106.9485	0.090	2	107.5050	0.646	36	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	107.1679	0.601	12	107.1679	0.362	12	107.5050	0.646	36	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pt<4>,1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2){1|H<1>,6|C<3>}	107.8445	0.278	2	107.2252	0.234	13	107.5050	0.646	36	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pt<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2){1|H<1>,6|C<3>}	107.1125	0.427	11	107.2252	0.234	13	107.5050	0.646	36	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Re)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Re<6>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Re)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	108.5275	0.974	2	108.5275	0.948	2	107.5050	0.646	36	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ru)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ru<6>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<6>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ru)(C[6a]C[6a]2){1|H<1>,6|C<3>}	106.8640	0.000	1	106.8640	0.000	1	107.5050	0.646	36	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	108.7370	0.188	6	108.7370	0.035	6	107.5050	0.646	36	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5])	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]N[6])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Ir<6>,1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,1|H<1>,7|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	107.3575	0.016	2	107.3575	0.000	2	107.3575	0.000	2	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5])	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,1|H<1>,7|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	107.3085	0.537	10	107.3085	0.288	10	107.3085	0.288	10	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]H)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]H)(CCC){4|C<3>}	108.9690	0.000	1	108.9690	0.000	1	108.9690	0.000	1	107.4019	0.646	61	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CHH){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHN){2|C<3>}	107.0250	0.000	1	107.0250	0.000	1	107.0250	0.000	1	107.0498	0.038	4	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:P-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PN[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]P)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PN[5]2){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]P)(CHHN){2|C<3>}	107.1380	0.276	2	107.1380	0.076	2	107.1380	0.076	2	107.0498	0.038	4	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ru)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]C){1|Ru<9>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ru)(CCHH){1|N<2>,3|C<3>}	106.8980	0.000	1	106.8980	0.000	1	106.8980	0.000	1	107.0498	0.038	4	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O){4|C<3>}	110.6820	0.000	1	110.6820	0.000	1	110.9937	0.075	16	110.9937	0.075	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<2>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(O){4|C<3>}	111.1515	0.076	2	111.1515	0.006	2	110.9937	0.075	16	110.9937	0.075	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|Cl<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O){4|C<3>}	111.5480	0.000	1	111.0032	0.087	12	110.9937	0.075	16	110.9937	0.075	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O){4|C<3>}	110.9313	0.336	6	111.0032	0.087	12	110.9937	0.075	16	110.9937	0.075	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O){4|C<3>}	110.9804	0.124	5	111.0032	0.087	12	110.9937	0.075	16	110.9937	0.075	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]Cl2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]O){2|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>,2|N<2>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]Cl2)(O){2|C<3>,2|N<2>}	110.8760	0.000	1	110.8760	0.000	1	110.9937	0.075	16	110.9937	0.075	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	109.8480	0.000	1	109.8480	0.000	1	110.0236	0.182	8	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	110.2233	0.568	3	110.0487	0.206	7	110.0236	0.182	8	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	110.1320	0.406	2	110.0487	0.206	7	110.0236	0.182	8	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	109.9090	0.000	1	110.0487	0.206	7	110.0236	0.182	8	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	109.4980	0.000	1	110.0487	0.206	7	110.0236	0.182	8	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[4,5]C[4,5,6]C[5,6a]O[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[4,5]C[4,5,6]C[5,6a]O[4])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	108.8400	0.000	1	108.8410	0.000	2	108.9643	0.219	17	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[4,5]C[4,5,6]C[5,6a]O[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[4,5]C[4,5,6]C[5,6a]O[4])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	108.8420	0.000	1	108.8410	0.000	2	108.9643	0.219	17	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[4,5]C[5,6a]C[3,4]O[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[4,5]C[5,6a]C[3,4]O[4])(N[5]C[5,6a]C)(O){2|C<3>,3|C<4>}	109.0980	0.000	1	109.0980	0.000	1	108.9643	0.219	17	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[4,5]C[5,6a]C[4,5]O[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4,5]O[4])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	108.7957	0.342	3	109.0822	0.219	12	108.9643	0.219	17	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[4,5]C[5,6a]C[4,5]O[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4,5]O[4])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.9440	0.000	1	109.0822	0.219	12	108.9643	0.219	17	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[4,5]C[5,6a]C[4,5]O[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4,5]O[4])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	109.2230	0.325	2	109.0822	0.219	12	108.9643	0.219	17	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[4,5]C[5,6a]C[4,5]O[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4,5]O[4])(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	108.5860	0.000	1	109.0822	0.219	12	108.9643	0.219	17	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[4,5]C[5,6a]C[4,5]O[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4,5]O[4])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	109.2545	0.385	4	109.0822	0.219	12	108.9643	0.219	17	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[4,5]C[5,6a]C[4,5]O[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4,5]O[4])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	108.6050	0.000	1	109.0822	0.219	12	108.9643	0.219	17	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[4,5]C[5,6a]C[4]O[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4]O[4])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.1960	0.000	1	108.3135	0.028	2	108.9643	0.219	17	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[4,5]C[5,6a]C[4]O[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4]O[4])(N[5]C[5,6a]C)(O){1|Cl<1>,1|C<4>,3|C<3>}	108.4310	0.000	1	108.3135	0.028	2	108.9643	0.219	17	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	109.1264	0.393	5	109.1264	0.154	5	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	109.6840	0.016	2	109.5406	0.133	9	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	109.4080	0.000	1	109.5406	0.133	9	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	109.6850	0.000	1	109.5406	0.133	9	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,6|C<3>}	109.1290	0.000	1	109.5406	0.133	9	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	109.2735	0.517	2	109.5406	0.133	9	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	109.8640	0.438	2	109.5406	0.133	9	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,4|C<3>}	109.6120	0.000	1	109.3135	0.178	2	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	109.0150	0.000	1	109.3135	0.178	2	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>,4|H<1>}	109.1570	0.000	1	109.1570	0.000	1	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,5|C<3>}	109.6990	0.000	1	109.6990	0.000	1	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CNO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CNO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	109.7183	0.192	6	109.7183	0.037	6	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[3,5]C[5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	110.2760	0.000	1	110.2760	0.000	1	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	109.9030	0.000	1	109.9030	0.000	1	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	109.5920	0.201	2	109.8090	0.147	7	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	109.6030	0.000	1	109.8090	0.147	7	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	109.9920	0.481	2	109.8090	0.147	7	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	109.5180	0.000	1	109.8090	0.147	7	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,7|C<3>}	110.3740	0.000	1	109.8090	0.147	7	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,5|C<3>}	109.5020	0.000	1	109.5020	0.000	1	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	109.5110	0.000	1	109.5110	0.000	1	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|C<4>}	110.5160	0.000	1	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	109.9425	0.128	2	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	110.0030	0.000	1	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	110.1700	0.204	2	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	110.5730	0.000	1	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	110.0795	0.091	2	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	109.9180	0.000	1	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|N<4>,2|H<1>,4|C<3>}	110.0000	0.000	1	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	109.9770	0.000	1	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	109.9290	0.000	1	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	110.8120	0.000	1	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<3>,2|H<1>,4|C<4>}	108.8965	0.593	2	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	109.8630	0.000	1	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	109.2280	0.000	1	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,2|N<3>,4|C<3>}	109.4240	0.000	1	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){3|H<1>,5|C<3>}	110.1150	0.000	1	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	109.4880	0.000	1	109.9059	0.262	21	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	109.9260	0.000	1	109.5558	0.208	4	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	109.2370	0.000	1	109.5558	0.208	4	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,5|C<3>}	109.5300	0.619	2	109.5558	0.208	4	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	109.3930	0.000	1	109.3810	0.000	2	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,4|C<3>}	109.3690	0.000	1	109.3810	0.000	2	109.6799	0.212	62	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	109.8520	0.000	1	109.4460	0.124	3	109.4460	0.124	3	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	109.2430	0.031	2	109.4460	0.124	3	109.4460	0.124	3	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	111.5730	0.000	1	111.5730	0.000	1	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	109.8713	0.301	3	109.8808	0.061	4	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	109.9090	0.000	1	109.8808	0.061	4	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	109.1580	0.000	1	109.2532	0.238	6	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	109.0340	0.000	1	109.2532	0.238	6	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	109.0470	0.000	1	109.2532	0.238	6	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	109.0585	0.435	2	109.2532	0.238	6	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	110.1630	0.000	1	109.2532	0.238	6	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[5,5,6]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[5,5,6]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,4|H<1>}	108.6680	0.813	2	108.6680	0.661	2	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	111.3505	0.663	2	111.3505	0.439	2	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	109.7690	0.000	1	110.0784	0.564	5	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	109.4590	0.000	1	110.0784	0.564	5	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	110.3880	0.863	3	110.0784	0.564	5	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,4|C<4>}	109.8050	0.000	1	109.7825	0.001	2	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	109.7600	0.000	1	109.7825	0.001	2	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	110.2630	0.000	1	109.7709	0.448	14	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	108.9180	0.000	1	109.7709	0.448	14	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	110.8720	0.000	1	109.7709	0.448	14	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	109.2360	0.000	1	109.7709	0.448	14	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	110.3290	0.000	1	109.7709	0.448	14	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	109.5160	0.000	1	109.7709	0.448	14	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	109.5103	0.546	6	109.7709	0.448	14	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	110.2985	0.723	2	109.7709	0.448	14	109.8167	0.665	36	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.6860	0.689	2	109.5065	0.313	4	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.3270	0.580	2	109.5065	0.313	4	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	108.9150	0.000	1	108.9150	0.000	1	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	109.0620	0.000	1	109.0620	0.000	1	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	108.9000	0.000	1	108.9235	0.001	2	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	108.9470	0.000	1	108.9235	0.001	2	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	109.3470	0.000	1	109.3470	0.000	1	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	108.6820	0.000	1	108.6820	0.000	1	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O){4|C<3>}	109.8850	0.000	1	109.8850	0.000	1	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	109.3850	0.000	1	109.3850	0.000	1	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	108.6530	0.000	1	108.6530	0.000	1	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	109.5655	0.224	2	109.5655	0.050	2	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	109.3150	0.000	1	109.3150	0.000	1	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]BrC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]BrC)(N[5]C[5,6a]C)(O){2|C<3>}	109.7410	0.000	1	109.7410	0.000	1	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	110.4315	0.194	2	109.7058	0.475	12	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.5730	0.699	9	109.7058	0.475	12	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.4500	0.000	1	109.7058	0.475	12	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	109.3630	0.000	1	109.3630	0.000	1	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	109.6660	0.000	1	110.0910	0.116	5	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	110.1972	0.283	4	110.0910	0.116	5	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	110.4620	0.000	1	110.2745	0.070	2	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	110.0870	0.000	1	110.2745	0.070	2	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	109.5810	0.018	2	109.5810	0.000	2	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	109.7295	0.346	6	109.8300	0.170	7	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	110.4330	0.000	1	109.8300	0.170	7	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	110.1680	0.000	1	110.1680	0.000	1	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	109.5750	0.000	1	109.7955	0.097	2	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	110.0160	0.000	1	109.7955	0.097	2	109.6440	0.304	49	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C[6a])(O){4|C<3>,4|H<1>}	110.2730	0.000	1	110.2730	0.000	1	110.2730	0.000	1	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,7|C<3>}	110.3290	0.467	2	110.3290	0.218	2	110.7728	0.419	4	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,5|C<3>}	111.5710	0.000	1	111.5710	0.000	1	110.7728	0.419	4	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	110.8620	0.000	1	110.8620	0.000	1	110.7728	0.419	4	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O){1|H<1>,6|C<3>}	110.6490	0.000	1	110.6490	0.000	1	110.7970	0.102	6	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	110.7410	0.000	1	110.7410	0.000	1	110.7970	0.102	6	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C[6a])(O){6|C<3>}	110.3550	0.000	1	110.3550	0.000	1	110.7970	0.102	6	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C[6a])(O){6|C<3>}	110.8480	0.000	1	110.8480	0.000	1	110.7970	0.102	6	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C[6a])(O){9|C<3>}	111.0945	0.330	2	111.0945	0.109	2	110.7970	0.102	6	109.7053	0.436	186	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	108.5060	2.575	3	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]HP)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]O){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HP)(N[5]C[5,6a]C)(CCH){2|C<3>}	107.2130	0.000	1	107.2130	0.000	1	107.6080	0.312	2	108.5060	2.575	3	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CCH){2|C<3>}	108.0030	0.000	1	108.0030	0.000	1	107.6080	0.312	2	108.5060	2.575	3	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(CCHH){3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	110.2300	0.190	2	110.2300	0.036	2	110.2300	0.036	2	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCCH){1|Pt<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cl<1>,1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	106.5930	0.033	2	106.5930	0.001	2	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	107.4075	0.557	4	107.7379	0.519	8	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	108.0683	0.780	4	107.7379	0.519	8	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<2>}	107.0270	0.000	1	107.0270	0.000	1	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Co<6>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Co<6>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	106.4040	0.000	1	106.4040	0.000	1	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Cu<5>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cu<5>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	107.0160	0.113	2	107.0160	0.013	2	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Os<9>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Os<9>,1|H<1>,1|O<1>,2|N<3>}	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	107.1830	0.000	1	107.1830	0.000	1	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Pt<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	108.0757	1.082	4	108.0757	1.171	4	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Re<6>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Re<6>,1|H<1>,1|O<1>,2|N<3>}	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	107.1390	0.457	2	107.1390	0.209	2	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Rh)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Rh<5>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Rh<5>,1|H<1>,1|O<1>,2|N<3>}	C[5](N[5]C[5,6a]Rh)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	106.7560	0.000	1	106.7560	0.000	1	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Ru<6>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	107.0810	0.000	1	107.0840	0.000	2	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<9>,1|H<1>,1|O<1>,2|N<3>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	107.0870	0.000	1	107.0840	0.000	2	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Zn<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Zn<4>,1|H<1>,1|O<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	106.8490	0.000	1	107.1005	0.127	2	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Zn<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Zn<4>,1|H<1>,1|O<2>,2|N<2>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	107.3520	0.000	1	107.1005	0.127	2	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	107.3290	0.000	1	107.3290	0.000	1	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<2>}	108.3225	0.964	2	108.5983	0.693	3	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<2>}	109.1500	0.000	1	108.5983	0.693	3	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ir<6>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cl<1>,1|Ir<6>,1|C<3>,1|H<1>,1|N<2>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	106.5165	0.168	2	106.7397	0.163	3	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ir<8>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	107.1860	0.000	1	106.7397	0.163	3	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Os<9>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Os<9>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	106.7190	0.000	1	106.7190	0.000	1	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	107.6742	0.145	5	107.3625	0.176	12	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	107.4880	0.000	1	107.3625	0.176	12	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	107.0962	0.468	5	107.3625	0.176	12	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<6>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<6>,1|C<3>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	107.0100	0.000	1	107.3625	0.176	12	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ru<6>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|O<1>,2|N<3>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	106.5830	0.000	1	106.5565	0.001	2	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ru<6>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	106.5300	0.000	1	106.5565	0.001	2	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	107.6910	0.468	2	107.6910	0.219	2	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO){1|Pt<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	109.5905	2.999	2	109.5905	8.993	2	107.4525	0.862	52	107.5554	1.110	54	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[4,5]O)(CC3)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C)	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[4,5]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	110.4970	0.840	3	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[6a]C[6a])(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6]O)(CH3){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	110.8930	0.000	1	110.8930	0.000	1	110.8930	0.000	1	110.4970	0.840	3	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:2:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C[6])	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C[6])(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]O)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C[6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C[6])(O){1|H<1>,2|N<2>,3|C<3>,3|C<4>}	111.1490	0.000	1	111.1490	0.000	1	111.1490	0.000	1	110.4970	0.840	3	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:P[5]-2:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(H){2|C<3>}	112.3350	0.000	1	112.3350	0.000	1	112.4430	0.023	2	114.0978	1.225	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:P[5]-2:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CC[6a]CH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(H){2|C<3>}	112.5510	0.000	1	112.5510	0.000	1	112.4430	0.023	2	114.0978	1.225	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(H){2|C<3>}	113.8718	1.130	5	113.8718	1.278	5	113.8243	1.036	6	114.0978	1.225	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CC[6a]HH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(H){2|C<3>}	113.5870	0.000	1	113.5870	0.000	1	113.8243	1.036	6	114.0978	1.225	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	115.2305	0.506	2	115.2305	0.256	2	114.6837	0.759	6	114.0978	1.225	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]CH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	113.5530	0.000	1	113.5530	0.000	1	114.6837	0.759	6	114.0978	1.225	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]HH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	114.8560	0.000	1	114.8560	0.000	1	114.6837	0.759	6	114.0978	1.225	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	114.6160	1.274	2	114.6160	1.624	2	114.6837	0.759	6	114.0978	1.225	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(Se){2|C<3>}	114.8150	0.604	2	114.8150	0.365	2	114.8150	0.365	2	114.0978	1.225	16	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]2H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SBi)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]2H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SBi){2|C<3>}	113.1117	2.112	3	113.1117	4.462	3	112.8810	1.388	8	113.8033	1.021	26	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]2H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SHg)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]2H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SHg){2|C<3>}	112.9937	0.116	3	112.9937	0.014	3	112.8810	1.388	8	113.8033	1.021	26	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]HH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]HH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SRu){2|C<3>}	112.3660	0.194	2	112.3660	0.038	2	112.8810	1.388	8	113.8033	1.021	26	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC){2|C<3>}	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	113.8033	1.021	26	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NC){2|C<3>}	115.1140	0.000	1	115.1140	0.000	1	114.6109	0.408	8	113.8033	1.021	26	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NC[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NC[5]){2|C<3>}	114.7380	0.107	4	114.7380	0.011	4	114.6109	0.408	8	113.8033	1.021	26	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NN){2|C<3>}	114.2737	1.040	3	114.2737	1.081	3	114.6109	0.408	8	113.8033	1.021	26	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SC){2|C<3>}	114.3690	0.000	1	114.3690	0.000	1	113.9140	0.088	5	113.8033	1.021	26	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SBr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SBr){2|C<3>}	113.8510	0.092	2	113.8510	0.008	2	113.9140	0.088	5	113.8033	1.021	26	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SI)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SI){2|C<3>}	113.7495	0.269	2	113.7495	0.073	2	113.9140	0.088	5	113.8033	1.021	26	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(PRuOO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]P)	C[5](N[5]C[5,6a]P)(S[5]C[5,6a])(SRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(PRuOO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]P)(S[5]C[5,6a])(SRu){2|C<3>}	113.7765	0.285	2	113.7765	0.081	2	113.7765	0.081	2	113.8033	1.021	26	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(NC[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SC[6a]OO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(NC[6a]){2|C<3>}	113.6600	0.000	1	113.6600	0.000	1	114.0525	0.308	2	113.8033	1.021	26	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SC[6a]OO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(NS){2|C<3>}	114.4450	0.000	1	114.4450	0.000	1	114.0525	0.308	2	113.8033	1.021	26	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCH){2|C<3>}	108.4810	0.000	1	108.4810	0.000	1	108.4810	0.000	1	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:P[5]-2:P-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(CCHH)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(PCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|P<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(PCC){2|C<3>}	112.8570	0.000	1	112.8570	0.000	1	112.8570	0.000	1	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH){2|C<3>}	114.0413	0.112	3	114.4848	0.209	15	114.6245	0.353	53	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH){2|C<3>}	114.5957	0.444	12	114.4848	0.209	15	114.6245	0.353	53	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4]H){2|C<3>}	114.8697	0.492	7	114.8697	0.242	7	114.6245	0.353	53	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4a]H){2|C<3>}	114.7595	0.358	12	114.7595	0.128	12	114.6245	0.353	53	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCC){2|C<3>}	115.2320	0.132	2	115.2320	0.017	2	114.6245	0.353	53	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH){2|C<3>}	114.1773	0.454	10	114.1773	0.206	10	114.6245	0.353	53	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]Br)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]Br){2|C<3>}	113.3760	0.000	1	113.3760	0.000	1	114.6245	0.353	53	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]C){2|C<3>}	115.3180	0.862	3	115.3180	0.743	3	114.6245	0.353	53	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]Cl)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]Cl){2|C<3>}	114.6400	0.000	1	114.6400	0.000	1	114.6245	0.353	53	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]H){2|C<3>}	116.1720	0.000	1	116.1720	0.000	1	114.6245	0.353	53	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]S){2|C<3>}	114.2460	0.000	1	114.2460	0.000	1	114.6245	0.353	53	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:Se[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH){2|C<3>}	116.3156	0.672	7	116.3156	0.452	7	116.4974	0.362	13	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:Se[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4]H){2|C<3>}	116.7615	0.504	4	116.7615	0.254	4	116.4974	0.362	13	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:Se[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4a]H){2|C<3>}	116.1970	0.000	1	116.1970	0.000	1	116.4974	0.362	13	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:Se[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6]H){2|C<3>}	117.0140	0.000	1	117.0140	0.000	1	116.4974	0.362	13	114.8662	1.570	68	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CH3){2|C<3>}	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BC[6a]2C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BC[6a]2C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(H){2|C<3>}	106.0480	0.000	1	106.0480	0.000	1	106.2168	0.039	5	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BC[6a]3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(H){2|C<3>}	106.2100	0.262	2	106.2100	0.068	2	106.2168	0.039	5	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BF3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BF3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|B<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]B)2(H){2|C<3>}	106.3080	0.204	2	106.3080	0.041	2	106.2168	0.039	5	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S){2|C<3>}	108.1410	0.258	4	108.1410	0.067	4	108.1410	0.067	4	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<3>}	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	110.6450	0.000	1	110.8170	0.031	4	110.9637	0.095	10	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){4|C<3>}	110.8743	0.164	3	110.8170	0.031	4	110.9637	0.095	10	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	111.0970	0.000	1	111.0970	0.000	1	110.9637	0.095	10	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	111.1197	0.240	3	111.1997	0.064	4	110.9637	0.095	10	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){4|C<3>}	111.4400	0.000	1	111.1997	0.064	4	110.9637	0.095	10	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]N)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]N)(N[5]C[5]C){1|Cl<1>,1|N<2>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	110.4730	0.000	1	110.4730	0.000	1	110.9637	0.095	10	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]H)(CH3){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	107.8635	0.421	2	107.8635	0.177	2	107.8635	0.177	2	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	110.4595	0.289	2	110.4595	0.084	2	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	109.9410	0.000	1	109.9410	0.000	1	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	110.8524	0.585	10	110.8524	0.342	10	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	110.5990	0.025	2	110.5990	0.001	2	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|Cl<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){4|C<3>}	110.6080	0.000	1	110.6080	0.000	1	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	111.2180	0.000	1	111.2180	0.000	1	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	110.2190	0.000	1	110.6950	0.090	6	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	110.7902	0.212	5	110.6950	0.090	6	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){4|C<3>}	110.8803	0.310	3	110.8803	0.096	3	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a]C)(O){4|C<3>}	110.5940	0.000	1	110.5940	0.000	1	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	110.8460	0.000	1	110.6618	0.047	12	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	110.6451	0.219	11	110.6618	0.047	12	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	110.4380	0.604	2	110.8355	0.071	34	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	110.8603	0.231	32	110.8355	0.071	34	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	110.8070	0.000	1	110.8070	0.000	1	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	111.1463	0.203	3	111.1463	0.041	3	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]CH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	111.0370	0.000	1	111.0370	0.000	1	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	110.1430	0.000	1	110.7323	0.259	20	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	110.0437	0.194	3	110.7323	0.259	20	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	110.8983	0.419	16	110.7323	0.259	20	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){2|C<3>,2|S<2>}	110.8510	0.000	1	110.8510	0.000	1	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	110.6260	0.000	1	110.6592	0.003	5	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	110.6675	0.056	4	110.6592	0.003	5	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|C<3>}	111.1700	0.000	1	111.1700	0.000	1	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	110.5108	0.546	24	110.4705	0.295	26	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<1>,2|O<2>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	109.9430	0.000	1	110.4705	0.295	26	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	110.0310	0.000	1	110.4705	0.295	26	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	111.4080	0.154	2	111.4080	0.024	2	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|H<1>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	110.5960	0.000	1	110.5960	0.000	1	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	111.0970	0.000	1	111.0621	0.164	29	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	111.0609	0.413	28	111.0621	0.164	29	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<3>}	110.0030	0.000	1	110.7537	0.452	3	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>}	110.9570	0.000	1	110.7537	0.452	3	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|O<2>,3|C<3>}	111.3010	0.000	1	110.7537	0.452	3	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>}	111.4640	0.000	1	111.4640	0.000	1	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	110.9938	0.304	16	111.0935	0.137	19	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	111.7280	0.083	2	111.0935	0.137	19	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	111.4200	0.000	1	111.0935	0.137	19	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	110.9924	0.268	7	110.8654	0.250	10	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	110.5690	0.849	3	110.8654	0.250	10	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	110.8790	0.000	1	110.8790	0.000	1	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHS){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	110.4770	0.000	1	110.4770	0.000	1	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CN[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CN[6]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	110.1690	0.000	1	110.1690	0.000	1	110.8168	0.202	199	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.3230	0.170	2	108.3230	0.029	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.1800	0.000	1	108.1800	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.1493	0.257	18	108.1493	0.066	18	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C[3x6])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C[3x6])(N[5]C[5,6a]C)(H){2|C<3>,3|C<4>}	108.2930	0.000	1	108.2930	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.2277	0.435	6	108.2733	0.191	10	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.3418	0.497	4	108.2733	0.191	10	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.2373	0.284	3	108.2373	0.080	3	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.0660	0.000	1	108.0660	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,4|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	108.4563	0.626	3	108.4563	0.392	3	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.1510	0.337	122	108.1510	0.113	122	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){1|N<2>,3|C<3>}	108.6703	0.307	3	108.6363	0.045	8	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){2|C<3>,2|N<2>}	108.5595	0.009	2	108.6363	0.045	8	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	108.6533	0.237	3	108.6363	0.045	8	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H){2|C<3>}	106.7823	0.218	7	106.7823	0.047	7	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H){2|C<3>}	106.8300	0.000	1	106.8300	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ni<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(H){2|C<3>}	107.2185	0.097	2	107.2185	0.009	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(H){2|C<3>}	107.6170	0.000	1	107.6170	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Pt<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<6>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){2|C<3>}	107.0292	0.191	4	107.0292	0.036	4	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){2|C<3>}	106.6570	0.014	2	106.9235	0.286	4	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){2|C<3>}	107.1900	0.758	2	106.9235	0.286	4	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<2>}	107.7000	0.000	1	107.4580	0.117	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	107.2160	0.000	1	107.4580	0.117	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	105.7250	0.000	1	105.7250	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.0940	0.000	1	108.0940	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<3>}	107.7040	0.000	1	107.7040	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.1580	0.044	2	108.1580	0.002	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.1160	1.049	2	108.1160	1.101	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]2H){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){2|C<3>}	106.3270	0.000	1	106.6495	0.208	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]2H){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){2|C<3>}	106.9720	0.000	1	106.6495	0.208	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	108.6670	0.000	1	108.6670	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H){2|C<3>}	107.0004	0.492	8	107.0004	0.242	8	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	107.6890	0.000	1	107.6890	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Ag<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]C)(H){2|C<3>}	107.6790	0.000	1	107.6790	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,4|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	107.9850	0.303	12	107.9850	0.092	12	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.7210	0.083	4	108.1875	0.225	69	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.1353	0.477	60	108.1875	0.225	69	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.3870	0.297	5	108.1875	0.225	69	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	108.1450	0.000	1	108.1450	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){1|N<2>,3|C<3>}	108.5180	0.016	2	108.5180	0.000	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Cd<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(H){2|C<3>}	106.6243	0.207	4	106.6243	0.043	4	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H){2|C<3>}	107.0235	0.325	2	107.0235	0.105	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H){2|C<3>}	107.3170	0.000	1	107.3170	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]C)(H){2|C<3>}	106.9210	0.818	5	106.9210	0.668	5	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(H){2|C<3>}	107.0665	0.117	2	107.0665	0.014	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H){2|C<3>}	107.2610	0.835	6	106.6654	0.858	22	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H){2|C<3>}	106.4420	0.879	16	106.6654	0.858	22	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H){2|C<3>}	107.1267	0.222	6	107.1267	0.049	6	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	107.9015	0.373	2	107.9015	0.139	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	110.6790	0.000	1	110.6790	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	108.4130	0.000	1	108.4130	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.4265	0.610	2	108.4265	0.372	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.2417	0.419	4	108.2417	0.175	4	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.0300	0.485	2	108.0300	0.235	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(H){2|C<3>}	107.6140	0.151	3	107.6140	0.023	3	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.3485	0.229	14	108.3600	0.051	15	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.5210	0.000	1	108.3600	0.051	15	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){1|N<2>,3|C<3>}	109.0130	0.000	1	108.7303	0.061	3	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	108.5890	0.037	2	108.7303	0.061	3	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H){2|C<3>}	107.0400	0.027	2	107.0400	0.001	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H){2|C<3>}	106.7405	0.129	2	106.7405	0.017	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]N[5])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,3|H<1>}	C[5](N[5]C[5,6a]N[5])(N[5]C[5,6a]C)(H){4|C<3>}	109.2840	0.000	1	109.2840	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Os<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(H){2|C<3>}	107.4940	0.296	2	107.4940	0.087	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){2|C<3>}	106.7930	0.000	1	106.9260	0.035	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){2|C<3>}	107.0590	0.000	1	106.9260	0.035	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Zn<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H){2|C<3>}	106.8240	0.000	1	106.8240	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Zn<4>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	106.4610	0.000	1	106.4610	0.000	1	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	107.7376	0.495	5	107.6519	0.317	9	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<3>}	107.0865	0.794	2	107.6519	0.317	9	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<3>}	108.0030	0.041	2	107.6519	0.317	9	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<2>}	107.5960	0.000	1	107.7248	0.018	5	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<2>}	107.7880	0.215	2	107.7248	0.018	5	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	107.7260	0.000	2	107.7248	0.018	5	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Cu<5>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H){1|C<3>,1|N<3>}	105.4480	0.590	2	105.4480	0.348	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Pt<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	106.6882	0.682	5	106.6882	0.464	5	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Re<6>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Re<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	107.1833	1.703	3	107.1833	2.900	3	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.1360	0.279	2	108.1360	0.078	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.0960	0.154	3	108.0960	0.024	3	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.0270	0.115	3	108.0270	0.013	3	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H){2|C<3>}	107.3450	0.120	2	107.3450	0.014	2	107.8684	0.555	414	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S){2|C<3>}	108.5420	0.000	1	108.5420	0.000	1	109.6702	0.432	16	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S){2|C<3>}	108.2040	0.000	1	108.2040	0.000	1	109.6702	0.432	16	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C)2(S){2|C<3>}	109.6425	0.056	2	109.6425	0.003	2	109.6702	0.432	16	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S){2|C<3>}	109.0950	0.000	1	109.0950	0.000	1	109.6702	0.432	16	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(S){2|C<3>}	110.9940	0.000	1	110.9940	0.000	1	109.6702	0.432	16	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C)2(S){2|C<3>}	109.9032	0.320	5	109.9032	0.102	5	109.6702	0.432	16	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(S){1|H<1>,2|C<3>,2|C<4>}	109.8905	0.366	2	109.8905	0.134	2	109.6702	0.432	16	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S){2|C<3>}	109.7687	0.117	3	109.7687	0.014	3	109.6702	0.432	16	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	109.8650	1.055	3	109.8650	1.112	3	110.1105	0.452	25	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	109.7655	0.643	10	109.7655	0.414	10	110.1105	0.452	25	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	110.2870	0.226	2	110.2870	0.051	2	110.1105	0.452	25	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(Se){4|C<3>}	110.6280	0.239	4	110.6280	0.057	4	110.1105	0.452	25	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(Se){2|C<3>}	109.7250	0.000	1	109.7250	0.000	1	110.1105	0.452	25	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	110.5404	0.524	5	110.5404	0.275	5	110.1105	0.452	25	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	P[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](P[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	C[5](P[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H){2|C<3>}	112.9382	0.584	5	112.9382	0.341	5	112.9382	0.341	5	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	106.2910	0.000	1	106.9076	0.223	5	106.6439	0.675	7	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	107.0618	0.373	4	106.9076	0.223	5	106.6439	0.675	7	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){1|N<3>,3|C<3>}	106.9700	0.000	1	106.9700	0.000	1	106.6439	0.675	7	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ru<6>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Ru<6>,1|H<1>,1|N<3>,2|O<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){1|C<3>,1|N<3>}	104.9990	0.000	1	104.9990	0.000	1	106.6439	0.675	7	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	107.9705	0.555	2	107.9705	0.308	2	107.9705	0.308	2	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(H){2|C<3>}	109.1680	0.000	1	109.1680	0.000	1	108.8794	0.193	5	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){3|H<1>,4|C<3>}	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(H){2|C<3>}	109.2330	0.000	1	109.2330	0.000	1	108.8794	0.193	5	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3)	C[5,6a](N[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Pd<4>,3|C<3>}	C[5,6a](N[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(H){2|C<3>}	108.9115	0.254	2	108.9115	0.064	2	108.8794	0.193	5	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Pd<4>,3|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(H){2|C<3>}	108.1730	0.000	1	108.1730	0.000	1	108.8794	0.193	5	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:Ga-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga)	C[5](N[5]C[5,6a]Ga)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga){1|Ga<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Ga)2(H){2|C<3>}	104.4190	0.491	4	104.4190	0.241	4	104.4190	0.241	4	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(O){2|C<3>}	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	C[5](N[5]C[5,6a]Si)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|S<1>,3|H<1>}	C[5](N[5]C[5,6a]Si)(N[5]C[5,6a]H)(S){2|C<3>}	107.4080	0.008	2	107.4080	0.000	2	107.2682	0.053	4	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	C[5](N[5]C[5,6a]Si)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3){1|Si<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|Si<4>,1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]Si)2(S){2|C<3>}	107.1285	0.282	2	107.1285	0.080	2	107.2682	0.053	4	108.8716	2.577	704	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:O-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(BN[5]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(ORe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(ORe){2|C<3>}	107.4580	0.000	1	107.4580	0.000	1	106.9218	0.174	5	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:O-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(BN[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(OGa)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(BN[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(OGa){2|C<3>}	106.7878	0.336	4	106.7878	0.113	4	106.9218	0.174	5	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(SRe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(SRe){2|C<3>}	107.5917	0.084	6	107.5917	0.007	6	107.5358	0.019	8	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]H)(SBi)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]HH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,3|H<1>}	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]H)(SBi){2|C<3>}	107.3680	0.153	2	107.3680	0.023	2	107.5358	0.019	8	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(NS){2|C<3>}	110.7600	0.000	1	110.7600	0.000	1	110.7600	0.000	1	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:S[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a]){1|C<4>,4|C<3>}	114.3190	0.000	1	114.3190	0.000	1	114.3190	0.000	1	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:S[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a]){2|H<1>,4|C<3>}	114.4970	0.000	1	114.4970	0.000	1	114.4970	0.000	1	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CC){2|C<3>}	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NS){2|C<3>}	109.0410	0.000	1	109.0410	0.000	1	109.5034	0.396	16	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(NH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(NH){2|C<3>}	109.8127	0.224	4	109.8127	0.050	4	109.5034	0.396	16	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(NN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|N<2>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(NN){2|C<3>}	109.2230	0.000	1	109.2230	0.000	1	109.5034	0.396	16	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(NN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(NN){2|C<3>}	109.1430	0.850	4	109.1430	0.722	4	109.5034	0.396	16	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NC){2|C<3>}	109.1570	0.000	1	109.1570	0.000	1	109.5034	0.396	16	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]S)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]S)(NS){2|C<3>}	110.0640	0.000	1	110.0640	0.000	1	109.5034	0.396	16	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(NH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(NH){2|C<3>}	110.0025	0.100	2	110.0025	0.010	2	109.5034	0.396	16	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(NN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(NN){2|C<3>}	109.3710	1.203	2	109.3710	1.448	2	109.5034	0.396	16	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:O-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(OGa)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(OGa){2|C<3>}	108.1670	0.327	4	108.1670	0.107	4	108.3000	0.169	5	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:O-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(ORe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(ORe){2|C<3>}	108.8320	0.000	1	108.8320	0.000	1	108.3000	0.169	5	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:P-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(PC[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(PC[5]){2|C<3>}	109.4357	0.344	4	109.4357	0.118	4	109.5690	0.101	20	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:P-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(PC[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(PC[5]){2|C<3>}	109.6023	0.315	16	109.6023	0.099	16	109.5690	0.101	20	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SCu){2|C<3>}	109.2655	0.593	4	109.2655	0.352	4	108.7880	1.813	31	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SC){2|C<3>}	108.4780	0.000	1	108.4780	0.000	1	108.7880	1.813	31	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SCu){2|C<3>}	109.5418	0.163	4	109.5418	0.027	4	108.7880	1.813	31	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SIr){2|C<3>}	109.3840	1.121	2	109.3840	1.258	2	108.7880	1.813	31	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SRu){2|C<3>}	108.7175	0.006	2	108.7175	0.000	2	108.7880	1.813	31	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(SC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(SC){2|C<3>}	105.9767	1.050	4	105.9767	1.103	4	108.7880	1.813	31	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(SRe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(SRe){2|C<3>}	109.0260	0.266	6	109.0260	0.071	6	108.7880	1.813	31	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SI)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SI){2|C<3>}	109.1275	0.120	2	109.1275	0.014	2	108.7880	1.813	31	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(SPd)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(SPd){2|C<3>}	107.6655	0.067	2	107.6655	0.005	2	108.7880	1.813	31	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SIr){2|C<3>}	109.8330	0.000	1	109.8330	0.000	1	108.7880	1.813	31	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SRu){2|C<3>}	109.7810	0.000	1	109.7810	0.000	1	108.7880	1.813	31	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SIr){2|C<3>}	111.2450	0.000	1	111.2450	0.000	1	108.7880	1.813	31	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SRu){2|C<3>}	110.0110	0.000	1	110.0110	0.000	1	108.7880	1.813	31	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SeCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SeCu){2|C<3>}	109.0845	0.181	4	109.0845	0.033	4	108.9519	0.712	52	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SeSe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SeSe){2|C<3>}	108.1737	0.460	8	108.1737	0.211	8	108.9519	0.712	52	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SeCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SeCu){2|C<3>}	109.3720	0.679	6	109.3720	0.461	6	108.9519	0.712	52	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SeSe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SeSe){2|C<3>}	108.2232	0.517	6	108.2232	0.267	6	108.9519	0.712	52	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SeTe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SeTe){2|C<3>}	108.9548	0.476	8	108.9548	0.226	8	108.9519	0.712	52	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SeIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SeIr){2|C<3>}	110.3860	0.969	2	110.3860	0.938	2	108.9519	0.712	52	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SeRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SeRu){2|C<3>}	108.1390	0.581	2	108.1390	0.338	2	108.9519	0.712	52	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SeHg)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SeHg){2|C<3>}	109.2057	0.518	10	109.2057	0.269	10	108.9519	0.712	52	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SeCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SeCu){2|C<3>}	108.2755	0.322	2	108.2755	0.104	2	108.9519	0.712	52	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SeIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SeIr){2|C<3>}	111.7370	0.000	1	111.7370	0.000	1	108.9519	0.712	52	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SeRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SeRu){2|C<3>}	109.8330	0.000	1	109.8330	0.000	1	108.9519	0.712	52	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SeIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SeIr){2|C<3>}	109.7190	0.000	1	109.7190	0.000	1	108.9519	0.712	52	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(SeRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(SeRu){2|C<3>}	109.6160	0.000	1	109.6160	0.000	1	108.9519	0.712	52	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]S)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]S)(NS){2|C<3>}	108.7960	0.000	1	108.7960	0.000	1	108.7960	0.000	1	108.9692	1.540	142	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(BC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(BC[6a]3){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|B<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]B)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.0387	0.207	4	106.0387	0.043	4	106.0387	0.043	4	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,4|C<3>}	108.1330	0.000	1	108.1330	0.000	1	108.1330	0.000	1	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]H){2|C<3>}	110.0115	0.084	2	110.0115	0.007	2	109.2897	0.738	4	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[5a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[5a]N){2|C<3>}	108.8170	0.000	1	108.8170	0.000	1	109.2897	0.738	4	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]N){2|C<3>}	108.3190	0.000	1	108.3190	0.000	1	109.2897	0.738	4	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|N<3>,5|C<3>}	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cd)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Cd<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<4>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cd)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.5070	0.000	1	106.5070	0.000	1	107.1123	0.258	4	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Co<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	107.2175	0.479	2	107.2175	0.229	2	107.1123	0.258	4	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Cu<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	107.5070	0.000	1	107.5070	0.000	1	107.1123	0.258	4	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)(N[5]C[5,6a]H){1|H<1>,4|C<3>}	107.8390	0.000	1	107.8390	0.000	1	107.6657	0.519	6	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]Rh)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Rh<6>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]Rh)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.9060	0.000	1	106.9060	0.000	1	107.6657	0.519	6	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Co<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C){1|H<1>,1|N<3>,4|C<3>}	107.1425	0.156	2	107.1425	0.024	2	107.6657	0.519	6	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)2{1|H<1>,4|C<3>}	108.4820	0.287	2	108.4820	0.082	2	107.6657	0.519	6	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cr<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.9128	0.299	4	106.9128	0.089	4	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.4835	0.261	2	106.4835	0.068	2	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.9800	0.000	1	106.9800	0.000	1	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.3170	0.160	2	106.3170	0.026	2	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6]HH){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|Zn<5>,1|H<1>,4|C<3>}	106.7690	0.307	2	106.7690	0.094	2	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Cd<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.5520	0.000	1	106.5520	0.000	1	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.9725	0.246	4	106.9725	0.061	4	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Hg)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Hg<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Hg)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	107.5850	0.000	1	107.5850	0.000	1	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Mn<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.7425	0.404	2	106.7425	0.163	2	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	107.2240	0.000	1	106.6685	0.617	2	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.1130	0.000	1	106.6685	0.617	2	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.4800	0.694	3	106.4800	0.482	3	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Sn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Sn<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Sn<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Sn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.5445	0.064	2	106.5445	0.004	2	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.7085	0.392	2	106.7987	0.101	3	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.9790	0.000	1	106.7987	0.101	3	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Co<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.2707	0.466	3	106.2707	0.217	3	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cr<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.3680	0.000	1	106.3680	0.000	1	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Fe<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.8005	0.135	2	106.8005	0.018	2	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	107.4887	0.410	6	107.4887	0.168	6	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ni<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.5877	0.291	3	106.6355	0.187	8	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.6642	0.531	5	106.6355	0.187	8	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Os)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Os)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	107.2802	0.635	15	107.2802	0.403	15	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ru<9>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.5850	0.000	1	106.5850	0.000	1	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	106.4522	0.307	4	106.4522	0.094	4	106.8687	0.307	69	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:B-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(BC[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(BC[5]H){2|C<3>}	110.5660	0.119	2	110.5660	0.014	2	110.5660	0.014	2	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CB[6,6]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CB[6,6]C[5]){2|C<3>}	110.1950	0.102	2	110.1950	0.010	2	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]Be)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]Be){2|C<3>}	109.5880	0.109	3	109.5880	0.012	3	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]C){2|C<3>}	108.8920	0.277	2	108.8920	0.077	2	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]H){2|C<3>}	109.3690	0.079	2	109.3690	0.006	2	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]Ni)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]Ni){2|C<3>}	110.0730	0.628	2	110.0730	0.394	2	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]Pd)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]Pd){2|C<3>}	109.6765	0.148	2	109.6765	0.022	2	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]Rh)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]Rh){2|C<3>}	109.8555	0.296	2	109.8555	0.088	2	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCH){2|C<3>}	108.8520	0.000	1	108.8520	0.000	1	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CNS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CNS){2|C<3>}	108.9995	1.742	2	108.9995	3.033	2	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CSS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CSS){2|C<3>}	108.8690	0.145	8	108.8690	0.021	8	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CNS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CNS){2|C<3>}	108.9390	0.000	1	108.9390	0.000	1	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CCH){2|C<3>}	109.0880	0.421	4	109.0880	0.178	4	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]Be)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]Be){2|C<3>}	110.1190	0.256	3	110.1190	0.066	3	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]C){2|C<3>}	109.1830	0.406	2	109.1830	0.165	2	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]H){2|C<3>}	109.2020	0.023	2	109.2020	0.001	2	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]Ni)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]Ni){2|C<3>}	110.4855	0.124	2	110.4855	0.015	2	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]P){2|C<3>}	109.4916	0.406	8	109.4916	0.165	8	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]Pd)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]Pd){2|C<3>}	109.9615	0.342	2	109.9615	0.117	2	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]Rh)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]Rh){2|C<3>}	110.0930	0.281	2	110.0930	0.079	2	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CNS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CNS){2|C<3>}	108.7715	0.059	2	108.7715	0.003	2	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]Rh)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]Rh){1|H<1>,2|C<3>,2|C<4>}	110.1835	0.012	2	110.1835	0.000	2	109.4648	0.370	56	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	109.0150	0.021	2	109.0150	0.000	2	107.4252	1.061	12	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]HH){1|Ir<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[5]N[5]2){1|C<4>,4|C<3>}	106.9185	0.496	2	106.9185	0.246	2	107.4252	1.061	12	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	107.7943	0.453	4	107.5010	0.447	6	107.4252	1.061	12	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	106.9145	0.766	2	107.5010	0.447	6	107.4252	1.061	12	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Mn<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	106.1145	0.397	2	106.1145	0.157	2	107.4252	1.061	12	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2){2|H<1>,4|C<3>}	108.1400	0.000	1	108.1400	0.000	1	106.6837	0.547	7	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6]N[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6]N[6]2){4|C<3>}	106.5153	0.362	3	106.5153	0.131	3	106.6837	0.547	7	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6]N[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Zn<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6]N[6]2){4|C<3>}	106.3667	0.506	3	106.3667	0.256	3	106.6837	0.547	7	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCCH){1|Zn<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	106.9740	0.000	1	106.9740	0.000	1	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	108.8450	0.000	1	108.8450	0.000	1	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Cu<3>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	106.8640	0.134	2	106.9379	0.028	8	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Cu<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	106.9625	0.180	6	106.9379	0.028	8	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	107.4660	0.312	4	107.2315	0.201	6	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ir<8>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	106.7625	0.230	2	107.2315	0.201	6	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Os<9>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<9>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	106.8860	0.000	1	106.8860	0.000	1	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	108.1280	0.000	1	107.8010	0.094	4	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	107.6920	0.265	3	107.8010	0.094	4	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ru<9>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	106.7960	0.000	1	106.7960	0.000	1	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Te)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Te<3>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Te<3>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Te)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	107.2435	0.066	2	107.2435	0.004	2	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Zn<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	107.4130	0.049	2	107.4130	0.002	2	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	108.3080	0.000	1	108.6173	0.085	3	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.7720	0.161	2	108.6173	0.085	3	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	108.8190	0.000	1	108.8190	0.000	1	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	107.5525	0.575	2	107.5525	0.330	2	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	107.3120	0.000	1	107.7757	0.275	3	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.0075	0.477	2	107.7757	0.275	3	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	108.1750	0.000	1	108.3495	0.061	2	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.5240	0.000	1	108.3495	0.061	2	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	108.7235	0.134	4	108.8417	0.054	6	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	109.2310	0.000	1	108.8417	0.054	6	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.9250	0.000	1	108.8417	0.054	6	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Cu<5>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	107.3810	0.000	1	107.3810	0.000	1	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Fe<5>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	107.0400	0.000	1	107.0400	0.000	1	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	108.0999	0.999	8	108.0999	0.997	8	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Mn<5>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<5>,1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	107.2255	0.029	2	107.2255	0.001	2	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Ni<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	107.4075	0.445	4	107.4075	0.198	4	107.7129	0.611	59	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH){1|Pd<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.9530	0.000	1	108.5835	0.273	2	108.5835	0.273	2	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH){1|Pd<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.2140	0.000	1	108.5835	0.273	2	108.5835	0.273	2	107.8788	1.659	227	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(BC[5]HO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(BC[5]HO){2|C<3>}	109.6675	0.115	2	109.6675	0.013	2	110.0578	0.120	17	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(BC3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(BC3){2|C<3>}	110.1105	0.189	2	110.1105	0.036	2	110.0578	0.120	17	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(BCCI)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(BCCI){2|C<3>}	109.3690	0.000	1	109.3690	0.000	1	110.0578	0.120	17	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(BCCP)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(BCCP){2|C<3>}	110.0340	0.262	2	110.0340	0.068	2	110.0578	0.120	17	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(BCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(BCHH){2|C<3>}	110.5080	0.049	2	110.5080	0.002	2	110.0578	0.120	17	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(BCSS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(BCSS){2|C<3>}	109.9955	0.141	2	109.9955	0.020	2	110.0578	0.120	17	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(BS3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(BS3){2|C<3>}	110.5100	0.218	2	110.5100	0.047	2	110.0578	0.120	17	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(BSnCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(BSnCC){2|C<3>}	109.9908	0.183	4	109.9908	0.034	4	110.0578	0.120	17	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]HH){2|C<3>}	108.0718	0.249	4	108.0718	0.062	4	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]As)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|As<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|As<1>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]As)(N[5]C[5,6a]C)(CHHN){2|C<3>}	107.9345	0.432	2	107.9345	0.187	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH){2|C<3>}	108.3370	0.000	1	108.3370	0.000	1	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]P)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]P)(CHHN){2|C<3>}	109.2700	0.124	2	109.2700	0.015	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CCHH){2|C<3>}	109.0420	0.013	2	109.0420	0.000	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CH3){2|C<3>}	108.7527	0.225	8	108.7527	0.051	8	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cd<8>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<8>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CH3){2|C<3>}	107.7250	0.286	2	107.7250	0.082	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cd<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHN){2|C<3>}	106.9520	0.272	4	106.9520	0.074	4	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(CC[5]HH){2|C<3>}	107.4480	0.000	1	107.4480	0.000	1	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CH){2|C<3>}	107.2375	0.046	2	107.2375	0.002	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cu<3>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CH3){2|C<3>}	107.0828	0.739	4	107.0828	0.546	4	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Fe<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN){2|C<3>}	106.8254	0.319	8	106.7829	0.103	12	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN){2|C<3>}	106.6980	0.354	4	106.7829	0.103	12	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Ge<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<1>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	107.0720	0.000	1	107.2050	0.028	3	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Ge<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	107.2715	0.170	2	107.2050	0.028	3	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Ni<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	106.7885	0.279	2	106.7885	0.078	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	106.8883	0.484	3	106.8883	0.235	3	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CN[5]HH){2|C<3>}	108.4210	0.052	2	108.4210	0.003	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CH3){2|C<3>}	108.7892	0.216	5	108.7892	0.047	5	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Cd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CH3){2|C<3>}	107.6630	0.211	2	107.6630	0.044	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Cd<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHN){2|C<3>}	107.5357	0.831	3	107.5357	0.691	3	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Cd<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHS){2|C<3>}	107.6190	0.000	1	107.6190	0.000	1	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]C)(CH3){2|C<3>}	107.8995	0.425	2	107.8995	0.181	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(CCHH){2|C<3>}	108.1955	0.187	2	108.1955	0.035	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CHHN){2|C<3>}	106.8825	0.076	2	106.8825	0.006	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	107.0270	0.000	1	107.0270	0.000	1	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Ag<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ag<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]C)(CHHN){2|C<3>}	107.0405	0.246	8	107.0405	0.061	8	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH){2|C<3>}	108.3948	0.372	4	108.3948	0.138	4	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHO){2|C<3>}	108.2830	0.000	1	108.2830	0.000	1	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CHHN){2|C<3>}	107.1510	0.000	1	107.1510	0.000	1	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CC[5]HH){2|C<3>}	108.5798	0.170	4	108.5798	0.029	4	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(CHHO){2|C<3>}	108.6235	0.100	2	108.6235	0.010	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH){1|H<1>,2|C<3>,2|C<4>}	108.6778	0.168	8	108.6778	0.028	8	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CCHH){2|C<3>}	107.8560	0.000	1	107.8560	0.000	1	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CO){2|C<3>}	107.2095	0.698	2	107.2095	0.487	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHN){2|C<3>}	106.8300	0.617	2	106.9313	0.221	3	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHN){2|C<3>}	107.1340	0.000	1	106.9313	0.221	3	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHO){2|C<3>}	106.4060	0.010	2	106.6427	0.168	3	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHO){2|C<3>}	107.1160	0.000	1	106.6427	0.168	3	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHS){2|C<3>}	107.3010	0.000	1	107.3010	0.000	1	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CC[5]CH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CC[5]CH){2|C<3>}	106.8325	0.071	2	106.8325	0.005	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN){2|C<3>}	106.9240	0.000	1	106.5507	0.207	3	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Fe<7>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<7>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN){2|C<3>}	106.3640	0.453	2	106.5507	0.207	3	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHO){2|C<3>}	107.0893	0.731	3	107.0893	0.534	3	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	106.6223	0.927	3	106.6223	0.859	3	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CCHH){2|C<3>}	106.8654	0.328	10	106.8654	0.107	10	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CHHN){2|C<3>}	107.0035	0.518	2	107.0035	0.269	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CHHO){2|C<3>}	106.9200	0.000	1	106.9200	0.000	1	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	107.0640	0.000	1	107.0640	0.000	1	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Ni<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CHHN){2|C<3>}	108.8455	0.008	2	107.1236	1.092	11	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CHHN){2|C<3>}	106.7410	0.677	9	107.1236	1.092	11	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Re<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(CHHN){2|C<3>}	106.7470	0.017	2	106.7470	0.000	2	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]C)(CH3){2|C<3>}	107.3950	0.000	1	107.3950	0.000	1	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CH3){2|C<3>}	107.8970	0.000	1	107.8970	0.000	1	107.5206	0.770	150	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(C[5]C[5]2Fe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](N[5]C[5,6a]C)2(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	109.6120	0.475	2	109.6120	0.226	2	108.6723	2.762	3	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[5]N[5]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Rh<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[5]N[5]2H){1|C<4>,4|C<3>}	106.7930	0.000	1	106.7930	0.000	1	108.6723	2.762	3	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[6]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	108.6745	0.555	2	108.6745	0.308	2	108.6745	0.308	2	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Ga[4]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(Ga[4]P[4]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH){1|C<4>,2|C<3>,2|H<1>,2|P<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(Ga[4]P[4]2H){1|Ga<4>,2|Si<4>,2|C<3>}	110.4988	0.219	4	110.4988	0.048	4	110.4988	0.048	4	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:P-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(PC[5]SS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(PC[5]SS){2|C<3>}	108.9280	0.247	2	108.9280	0.061	2	108.9280	0.061	2	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Si-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(SiC3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH){1|Ni<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<5>,1|Si<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(SiC3){2|C<3>}	107.7235	0.059	2	107.7235	0.003	2	108.0686	0.083	14	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:Si-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(SiC3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Si<4>,1|Zn<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(SiC3){2|C<3>}	108.1261	0.269	12	108.1261	0.072	12	108.0686	0.083	14	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3){2|C<3>}	108.7615	0.670	2	108.7615	0.448	2	108.7073	0.233	3	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3){2|C<3>}	108.5990	0.000	1	108.5990	0.000	1	108.7073	0.233	3	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:Ga-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga)	C[5](N[5]C[5,6a]Ga)2(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga){1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ga)2(CH3){2|C<3>}	105.6170	0.174	2	105.6170	0.030	2	105.6170	0.030	2	107.8813	1.377	197	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]B)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]3){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,5|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]B)(H){2|C<3>}	108.2750	0.000	1	108.2750	0.000	1	108.2750	0.000	1	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,5,6a]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5,6a]C[5,6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	110.5125	0.039	2	110.5125	0.002	2	110.5125	0.002	2	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[3,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3)	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	110.9110	0.000	1	110.9955	0.014	2	110.9955	0.014	2	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[3,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3)	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	111.0800	0.000	1	110.9955	0.014	2	110.9955	0.014	2	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O)(CH3)	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	110.5940	0.257	2	110.5940	0.066	2	110.5940	0.066	2	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6,6a]C[5,6]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6,6a]C[5,6]H)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	111.4870	0.252	2	111.4870	0.063	2	111.5521	0.040	7	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6,6a]C[5,6]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6,6a]C[5,6]O)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	111.6667	0.148	3	111.6667	0.022	3	111.5521	0.040	7	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>}	111.4455	0.245	2	111.4455	0.060	2	111.5521	0.040	7	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	110.9370	0.000	1	111.0535	0.020	4	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	111.0910	0.000	1	111.0535	0.020	4	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	111.0930	0.208	2	111.0535	0.020	4	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	110.5510	0.000	1	110.5510	0.000	1	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	110.4590	0.000	1	110.4590	0.000	1	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	110.9780	0.000	1	111.0328	0.061	6	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|Br<1>,1|H<1>,3|C<3>}	110.7570	0.000	1	111.0328	0.061	6	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	111.2200	0.000	1	111.0328	0.061	6	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	111.0807	0.302	3	111.0328	0.061	6	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	111.6630	0.037	2	111.6630	0.001	2	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	110.9005	0.493	2	110.9005	0.243	2	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O){1|S<3>,2|C<3>,2|H<1>}	109.6550	0.000	1	109.6550	0.000	1	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	111.1570	0.000	1	111.1570	0.000	1	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	111.1700	0.000	1	111.1700	0.000	1	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	111.4770	0.000	1	111.0691	0.106	7	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	111.1860	0.209	3	111.0691	0.106	7	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	110.8163	0.271	3	111.0691	0.106	7	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	111.7060	0.075	2	111.7060	0.006	2	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	111.0968	0.311	4	111.0968	0.097	4	111.0567	0.186	32	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	111.4240	0.000	1	111.1130	0.193	2	111.0577	0.106	3	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,4|C<3>}	110.8020	0.000	1	111.1130	0.193	2	111.0577	0.106	3	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CH3)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	110.9470	0.000	1	110.9470	0.000	1	111.0577	0.106	3	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	111.5540	0.000	1	111.1195	0.378	2	111.2198	0.144	4	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	110.6850	0.000	1	111.1195	0.378	2	111.2198	0.144	4	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	111.2360	0.000	1	111.2360	0.000	1	111.2198	0.144	4	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CHHO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CHHO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	111.4040	0.000	1	111.4040	0.000	1	111.2198	0.144	4	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	111.4390	0.000	1	111.4390	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>,3|C<4>}	111.0963	0.080	3	111.0963	0.006	3	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	110.7010	0.000	1	110.9150	0.092	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	111.1290	0.000	1	110.9150	0.092	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	111.1725	0.414	2	111.2526	0.779	8	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	111.4850	2.056	2	111.2526	0.779	8	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	111.0410	0.000	1	111.2526	0.779	8	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	110.8705	0.385	2	111.2526	0.779	8	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	111.9240	0.000	1	111.2526	0.779	8	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	110.8370	0.000	1	111.2855	0.086	6	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	111.2020	0.000	1	111.2855	0.086	6	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	111.6840	0.000	1	111.2855	0.086	6	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	111.3470	0.000	1	111.2855	0.086	6	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	111.3215	0.235	2	111.2855	0.086	6	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.7930	0.000	1	111.0309	0.181	9	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	110.6225	0.384	2	111.0309	0.181	9	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	111.3810	0.000	1	111.0309	0.181	9	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	110.4350	0.000	1	111.0309	0.181	9	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	111.3825	0.076	2	111.0309	0.181	9	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<1>,4|C<3>}	111.3360	0.000	1	111.0309	0.181	9	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	111.3230	0.000	1	111.0309	0.181	9	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	111.1310	0.000	1	111.0892	0.082	4	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	111.0753	0.348	3	111.0892	0.082	4	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[5a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	110.7160	0.000	1	110.7160	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	108.0520	0.000	1	108.0520	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|O<2>,4|C<3>}	111.4260	0.000	1	110.9330	0.486	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<3>,2|H<1>,4|C<4>}	110.4400	0.000	1	110.9330	0.486	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	110.3400	0.000	1	110.3400	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,5a]C[5,6a]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	111.4600	0.037	2	111.4600	0.001	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	111.0980	0.000	1	111.2050	0.023	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	111.3120	0.000	1	111.2050	0.023	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	111.1760	0.000	1	111.1760	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5,5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2N[5,5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	110.8280	0.000	1	110.8280	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O){1|N<2>,4|C<3>}	111.8990	0.000	1	111.8990	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	110.9520	0.000	1	110.9520	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,4|C<4>}	110.7830	0.000	1	110.7830	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|O<2>,5|C<3>}	111.2430	0.000	1	111.3284	0.127	19	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	111.4347	0.115	3	111.3284	0.127	19	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	111.2830	0.000	1	111.3284	0.127	19	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	111.3536	0.239	5	111.3284	0.127	19	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	111.2570	0.000	1	111.3284	0.127	19	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	111.3342	0.518	6	111.3284	0.127	19	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	110.6400	0.000	1	111.3284	0.127	19	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|O<2>,2|H<1>,5|C<3>}	111.7390	0.000	1	111.3284	0.127	19	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	111.2740	0.167	2	111.0922	0.093	5	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,4|C<3>}	111.1370	0.000	1	111.0922	0.093	5	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	110.8880	0.437	2	111.0922	0.093	5	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,3|C<3>}	111.7870	0.000	1	111.1735	0.063	15	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	111.0160	0.232	2	111.1735	0.063	15	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	110.8910	0.000	1	111.1735	0.063	15	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,5|C<3>}	111.1997	0.097	3	111.1735	0.063	15	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	111.2250	0.000	1	111.1735	0.063	15	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,5|C<3>}	111.2680	0.000	1	111.1735	0.063	15	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	111.4990	0.000	1	111.1735	0.063	15	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	110.8820	0.000	1	111.1735	0.063	15	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	111.2380	0.065	2	111.1735	0.063	15	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,5|C<3>}	111.0310	0.000	1	111.1735	0.063	15	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	110.9120	0.000	1	111.1735	0.063	15	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	111.4170	0.000	1	110.8369	0.075	7	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	110.7110	0.000	1	110.8369	0.075	7	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	110.7460	0.119	5	110.8369	0.075	7	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	111.6230	0.000	1	111.0025	0.770	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	110.3820	0.000	1	111.0025	0.770	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	110.7160	0.000	1	110.9140	0.078	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	111.1120	0.000	1	110.9140	0.078	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	110.4630	0.000	1	110.4630	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	111.2580	0.000	1	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	112.0000	0.000	1	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	110.3010	0.000	1	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,6|C<3>}	111.3890	0.000	1	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	111.2115	0.045	2	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,5|C<3>}	111.2900	0.000	1	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,6|C<3>}	111.1280	0.000	1	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	111.1763	0.159	3	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.3310	0.000	1	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	110.8585	0.716	2	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	111.1173	0.581	3	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	111.1316	0.320	5	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,5|C<3>}	111.4510	0.000	1	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,3|H<1>,4|C<3>}	110.9260	0.000	1	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<2>,2|C<2>,5|C<3>}	111.3440	0.000	1	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.1600	0.000	1	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	110.9965	0.057	2	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	110.9536	0.446	8	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,2|N<3>,4|C<3>}	111.5400	0.000	1	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	110.7840	0.085	2	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){3|H<1>,5|C<3>}	110.6505	0.675	2	111.0802	0.163	41	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	111.3492	0.137	6	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	111.0110	0.000	1	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<2>,3|C<3>,3|C<4>}	110.7000	0.000	1	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	111.7980	0.000	1	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.1620	0.000	1	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	111.2470	0.000	1	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,5|C<3>}	111.4480	0.000	1	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	110.9150	0.000	1	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	111.6520	0.643	2	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	111.4610	0.000	1	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<2>,2|H<1>,4|C<3>}	111.1290	0.000	1	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,4|C<3>}	111.4720	0.000	1	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	111.0250	0.425	7	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	111.3570	0.400	3	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	111.5560	0.000	1	111.2601	0.132	29	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	111.1150	0.000	1	110.9263	0.404	14	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	110.9493	0.184	3	110.9263	0.404	14	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	111.1520	0.000	1	110.9263	0.404	14	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	111.3200	0.058	2	110.9263	0.404	14	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	110.6460	0.000	1	110.9263	0.404	14	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	109.7775	0.903	2	110.9263	0.404	14	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	111.6030	0.000	1	110.9263	0.404	14	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	110.4790	0.000	1	110.9263	0.404	14	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	111.5160	0.000	1	110.9263	0.404	14	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	111.4140	0.000	1	110.9263	0.404	14	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	110.6385	0.122	2	110.9950	0.175	4	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	111.3515	0.029	2	110.9950	0.175	4	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	111.0070	0.000	1	110.7650	0.049	3	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	110.6440	0.105	2	110.7650	0.049	3	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O){1|N<2>,4|C<3>}	111.6260	0.000	1	111.6260	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<3>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<1>,4|C<3>}	111.3330	0.000	1	111.3330	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|N<3>,1|O<1>,4|C<3>}	110.4840	0.000	1	110.4840	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){6|C<3>}	110.7240	0.000	1	110.7240	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	110.8130	0.000	1	110.8130	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	111.0960	0.000	1	111.0975	0.000	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	111.0990	0.000	1	111.0975	0.000	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	111.2410	0.000	1	111.2410	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	111.0180	0.000	1	111.2100	0.094	24	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|O<2>,5|C<3>}	111.1120	0.000	1	111.2100	0.094	24	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	111.1190	0.013	2	111.2100	0.094	24	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,5|C<3>}	111.2540	0.030	2	111.2100	0.094	24	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	111.8210	0.000	1	111.2100	0.094	24	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,6|C<3>}	111.2160	0.000	1	111.2100	0.094	24	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|O<2>,6|C<3>}	111.7330	0.000	1	111.2100	0.094	24	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	111.0414	0.384	7	111.2100	0.094	24	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	111.3160	0.000	1	111.2100	0.094	24	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	111.0835	0.056	2	111.2100	0.094	24	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,7|C<3>}	111.5620	0.000	1	111.2100	0.094	24	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	110.9800	0.000	1	111.2100	0.094	24	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|O<2>,1|S<2>,6|C<3>}	111.4630	0.102	2	111.2100	0.094	24	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	111.1520	0.000	1	111.2100	0.094	24	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	111.3943	0.378	3	111.2907	0.088	10	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	111.4680	0.000	1	111.2907	0.088	10	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,6|C<3>}	111.6750	0.000	1	111.2907	0.088	10	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	110.9560	0.000	1	111.2907	0.088	10	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>,3|C<4>}	111.2910	0.201	2	111.2907	0.088	10	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,5|C<3>}	111.0210	0.000	1	111.2907	0.088	10	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	111.0220	0.000	1	111.2907	0.088	10	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	111.1264	0.272	5	111.0603	0.085	6	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){6|C<3>}	110.7300	0.000	1	111.0603	0.085	6	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	111.5170	0.000	1	111.1120	0.328	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	110.7070	0.000	1	111.1120	0.328	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	111.4330	0.000	1	111.4330	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	111.6780	0.362	2	111.6297	0.073	3	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	111.5330	0.000	1	111.6297	0.073	3	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	110.6800	0.000	1	110.8770	0.078	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	111.0740	0.000	1	110.8770	0.078	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	111.4195	0.281	2	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,5|C<3>}	111.4190	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	111.7295	0.873	2	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	111.5980	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	111.1290	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	111.5100	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	111.4880	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	111.1530	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,4|C<3>}	111.1850	0.378	2	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	111.3830	0.270	4	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<1>,2|H<1>,4|C<3>}	111.3860	0.150	2	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	111.1450	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<2>,2|C<2>,5|C<3>}	111.9190	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	111.0920	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.4825	0.192	2	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	111.1500	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	111.2930	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	112.5270	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	111.2530	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	111.3220	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	111.3632	0.196	6	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){4|C<3>,4|H<1>}	111.0150	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,2|N<2>,3|C<3>}	112.4420	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){6|C<3>}	111.8220	0.000	1	111.4431	0.142	37	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	111.8320	0.775	2	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	111.0690	0.000	1	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	111.7460	0.000	1	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	111.4930	0.000	1	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	111.4520	0.515	2	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	111.2668	0.328	5	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	111.3230	0.000	1	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	111.2670	0.000	1	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<2>,6|C<3>}	110.4800	0.000	1	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|S<4>,2|H<1>,4|C<3>}	111.1010	0.000	1	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,3|H<1>}	111.5170	0.000	1	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	111.2240	0.349	4	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){3|H<1>,4|C<3>}	111.2570	0.000	1	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	110.9370	0.000	1	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	111.5255	0.107	2	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,4|C<3>}	111.1220	0.000	1	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	112.1970	0.000	1	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|O<1>,1|S<4>,4|C<3>}	111.5400	0.000	1	111.3535	0.163	28	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	111.0070	0.000	1	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	111.3037	0.268	7	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.4020	0.000	1	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	111.2440	0.000	1	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	111.1525	0.049	2	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	111.1457	0.110	4	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	111.5770	0.081	2	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	111.0450	0.000	1	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	110.5387	0.580	3	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,4|C<4>}	112.0500	0.000	1	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	111.5630	0.000	1	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	111.2660	0.000	1	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	111.5890	0.000	1	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<1>,4|C<3>}	111.2830	0.044	2	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	111.2350	0.000	1	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	111.4630	0.098	2	111.2476	0.135	31	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	111.3100	0.163	2	111.3100	0.026	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[5](C[5,5]C[5,6a]N[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	111.4530	0.000	1	111.4530	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	111.1550	0.000	1	111.5475	0.308	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O){2|C<3>,2|H<1>,3|C<4>}	111.9400	0.000	1	111.5475	0.308	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	111.2520	0.000	1	111.2520	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	111.2680	0.506	2	111.2680	0.256	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	111.5760	0.000	1	111.5760	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	110.4680	0.000	1	110.4680	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	110.9020	0.000	1	110.9020	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	110.9430	0.000	1	110.9430	0.000	1	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	111.3710	0.390	2	111.3710	0.152	2	111.1915	0.200	355	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	111.3070	0.000	1	111.3070	0.000	1	111.2400	0.009	2	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	111.1730	0.000	1	111.1730	0.000	1	111.2400	0.009	2	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,4|C<3>}	108.9940	0.000	1	109.1180	0.031	2	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,4|C<3>}	109.2420	0.000	1	109.1180	0.031	2	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]C)(O){6|C<3>}	111.6225	0.726	2	111.6225	0.527	2	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	111.4900	0.000	1	111.4900	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,4|C<3>}	111.4513	0.275	3	111.4513	0.076	3	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){6|C<3>}	111.7990	0.000	1	111.7990	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	111.7270	0.000	1	111.7270	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	111.6470	0.049	2	111.6470	0.002	2	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	111.2287	0.177	3	111.2287	0.031	3	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,2|H<1>,4|C<3>}	110.8650	0.000	1	111.2327	0.103	3	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	111.4520	0.000	1	111.2327	0.103	3	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	111.3810	0.000	1	111.2327	0.103	3	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	111.1390	0.000	1	111.1390	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	112.0520	0.000	1	112.0520	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	111.2500	0.000	1	111.2500	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	111.3400	0.000	1	111.3400	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	109.4095	0.402	2	109.4095	0.162	2	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	107.4270	0.000	1	107.4270	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	108.9100	0.000	1	108.9100	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	110.7570	0.000	1	110.7570	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[3x6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[3x6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	110.8300	0.000	1	110.8300	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	111.4260	0.000	1	111.3911	0.083	8	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	111.0130	0.168	2	111.3911	0.083	8	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,2|N<3>,3|C<3>}	111.6780	0.000	1	111.3911	0.083	8	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	111.7560	0.000	1	111.3911	0.083	8	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	111.5020	0.045	2	111.3911	0.083	8	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	111.2390	0.000	1	111.3911	0.083	8	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O){1|C<4>,2|N<3>,4|C<3>}	111.2760	0.000	1	111.3853	0.010	3	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,4|C<3>}	111.4400	0.038	2	111.3853	0.010	3	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	111.0580	0.000	1	111.0580	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5,6a]C[5,6]O[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	110.8170	0.000	1	110.8170	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){6|C<3>}	111.1185	0.168	2	111.1185	0.028	2	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	111.6673	0.165	3	111.5803	0.048	4	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	111.3190	0.000	1	111.5803	0.048	4	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	110.9520	0.000	1	111.5187	0.149	4	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	111.6510	0.004	2	111.5187	0.149	4	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	111.8210	0.000	1	111.5187	0.149	4	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	111.2500	0.000	1	111.2500	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	111.7110	0.006	2	111.7110	0.000	2	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	111.2527	0.246	3	111.1133	0.158	6	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	111.2730	0.134	2	111.1133	0.158	6	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	110.3760	0.000	1	111.1133	0.158	6	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	111.3135	0.335	6	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	111.8860	0.000	1	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	111.2605	0.204	2	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	111.6575	0.054	2	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	111.1090	1.035	3	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	111.3895	0.315	2	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	111.1930	0.000	1	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	111.2370	0.000	1	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.9730	0.000	1	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	111.3850	0.000	1	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	111.1420	0.274	2	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	111.0690	0.374	3	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	111.3800	0.000	1	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	111.0420	0.204	2	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	110.9175	0.303	2	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	111.5420	0.091	2	111.2616	0.158	32	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	110.8762	0.256	4	111.1266	0.184	9	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	111.4900	0.000	1	111.1266	0.184	9	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	111.9340	0.000	1	111.1266	0.184	9	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	110.8550	0.000	1	111.1266	0.184	9	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	110.8960	0.000	1	111.1266	0.184	9	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){6|C<3>}	111.4590	0.000	1	111.1266	0.184	9	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	110.7280	0.000	1	111.1634	0.152	7	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.1490	0.403	2	111.1634	0.152	7	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	111.2610	0.711	2	111.1634	0.152	7	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	111.2800	0.000	1	111.1634	0.152	7	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	111.3160	0.000	1	111.1634	0.152	7	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	111.1575	0.095	2	111.1575	0.009	2	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]N[5a,6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6a]N[5a,6]O[6])(N[5]C[5,6a]C)(O){5|C<3>}	111.7310	0.000	1	111.7310	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	109.5520	0.000	1	109.5520	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	111.7258	0.269	4	111.7258	0.072	4	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]F)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	110.5760	0.000	1	110.5760	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	111.3350	0.000	1	111.3350	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	111.4850	0.000	1	111.4850	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[5,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	111.4330	0.000	1	111.4330	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	111.6250	0.235	2	111.6250	0.055	2	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	111.3787	1.755	3	111.3787	3.080	3	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.7380	0.637	4	111.7380	0.406	4	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5a,6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	111.3030	0.000	1	111.3030	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	111.8030	0.000	2	111.4848	0.167	5	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	111.0375	0.013	2	111.4848	0.167	5	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	111.7430	0.000	1	111.4848	0.167	5	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	111.4730	0.000	1	111.4688	0.011	4	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	111.4020	0.000	1	111.4688	0.011	4	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	111.5000	0.158	2	111.4688	0.011	4	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	111.3102	0.129	4	111.2478	0.093	17	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	110.6680	0.000	1	111.2478	0.093	17	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	111.2090	0.000	1	111.2478	0.093	17	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	111.3480	0.000	1	111.2478	0.093	17	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	110.8080	0.000	1	111.2478	0.093	17	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	111.3010	0.000	2	111.2478	0.093	17	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,4|H<1>}	111.5440	0.000	1	111.2478	0.093	17	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	110.7330	0.000	1	111.2478	0.093	17	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	111.1770	0.000	1	111.2478	0.093	17	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,4|H<1>}	111.5060	0.000	1	111.2478	0.093	17	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	111.5320	0.000	1	111.2478	0.093	17	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	111.4225	0.552	2	111.2478	0.093	17	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	111.7840	0.453	2	111.5220	0.163	6	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	110.8690	0.000	1	111.5220	0.163	6	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	111.5650	0.141	3	111.5220	0.163	6	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	111.2887	0.117	4	111.4534	0.092	10	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,3|C<3>}	110.9420	0.000	1	111.4534	0.092	10	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	111.6980	0.195	2	111.4534	0.092	10	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	111.6880	0.000	1	111.4534	0.092	10	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	111.6765	0.319	2	111.4534	0.092	10	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,6|C<3>}	111.2085	0.530	2	111.2085	0.281	2	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]N[5a,6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[5](C[5,6]C[5,6a]N[5a,6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	111.4970	0.000	1	111.4970	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5](C[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	111.3030	0.000	1	111.3030	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	110.6560	0.000	1	110.6905	0.002	2	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	110.7250	0.000	1	110.6905	0.002	2	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	110.7970	0.000	1	110.7970	0.000	1	111.2424	0.396	179	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]S)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]S)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(S){1|S<2>,2|H<1>,5|C<3>}	112.1840	0.000	1	112.1840	0.000	1	112.1840	0.000	1	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]AlH)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Al<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Al<4>,1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]AlH)(N[5]C[5,6a]C)(H){2|C<3>}	106.0705	4.173	2	106.0705	17.411	2	107.9693	10.616	4	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]GaH)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Ga<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ga<4>,1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]GaH)(N[5]C[5,6a]C)(H){2|C<3>}	109.8680	0.126	2	109.8680	0.016	2	107.9693	10.616	4	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	111.3700	0.126	2	111.3700	0.016	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	110.7840	0.000	1	110.7840	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	110.7907	0.078	3	110.7907	0.006	3	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	111.7230	0.000	1	111.7230	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	111.1260	0.000	1	111.1260	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){4|C<3>}	111.8350	0.000	1	111.8350	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O){4|C<3>}	110.8400	0.000	1	110.8400	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O){4|C<3>}	110.7810	0.000	2	110.7810	0.000	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	111.3885	0.145	2	111.3885	0.021	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	111.5440	0.229	2	111.5440	0.052	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	111.0730	0.122	2	111.0730	0.015	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	111.5145	0.013	2	111.5145	0.000	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O){2|C<3>}	111.2435	0.112	2	111.2435	0.013	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[5](C[5]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O){2|C<3>,4|C<4>}	111.3345	0.008	2	111.3345	0.000	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){4|C<3>}	111.4800	0.000	1	111.4800	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	108.6445	0.103	2	108.7250	0.025	3	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	108.8860	0.000	1	108.7250	0.025	3	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	109.2290	0.000	1	109.2290	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	108.6950	0.000	1	108.6950	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	108.6070	0.000	1	108.6070	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	110.3900	0.000	1	110.3900	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	110.9900	0.000	1	110.9900	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	111.5540	0.000	1	111.5540	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|F<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	110.1115	0.144	2	110.1115	0.021	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	110.8872	0.415	4	110.8872	0.172	4	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	110.9275	0.233	2	110.9275	0.054	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	110.7900	0.266	2	111.0515	0.079	6	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	111.1230	0.199	3	111.0515	0.079	6	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	111.3600	0.000	1	111.0515	0.079	6	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	111.8360	0.000	1	111.2087	0.282	16	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	110.9133	0.835	4	111.2087	0.282	16	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	111.2681	0.388	10	111.2087	0.282	16	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	111.1690	0.000	1	111.2087	0.282	16	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	111.5030	0.000	1	111.0932	0.156	24	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	111.0514	0.401	21	111.0932	0.156	24	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	111.5010	0.000	1	111.0932	0.156	24	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	111.1530	0.000	1	111.0932	0.156	24	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	111.0800	0.000	1	111.0800	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	111.6350	0.000	1	111.6350	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.0300	0.000	1	111.3288	0.091	6	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	111.6020	0.000	1	111.3288	0.091	6	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	111.0400	0.000	1	111.3288	0.091	6	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	111.6040	0.010	2	111.3288	0.091	6	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	111.0930	0.000	1	111.3288	0.091	6	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(O){1|S<2>,2|H<1>,5|C<3>}	110.7790	0.000	1	110.7790	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	111.2460	0.000	1	111.2460	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,3|C<3>}	111.8210	0.000	1	111.0296	0.345	7	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	110.1860	0.000	1	111.0296	0.345	7	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|F<1>,4|C<3>}	111.5660	0.000	1	111.0296	0.345	7	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|N<3>,4|C<3>}	110.7005	0.459	2	111.0296	0.345	7	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){5|C<3>}	111.1165	0.032	2	111.0296	0.345	7	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	110.8440	0.000	1	110.8848	0.078	6	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	110.7763	0.067	3	110.8848	0.078	6	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	111.0680	0.528	2	110.8848	0.078	6	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	111.0122	0.280	4	111.0122	0.079	4	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O){1|O<2>,5|C<3>}	111.3560	0.000	1	111.3560	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,5|C<3>}	110.7050	0.200	3	110.7050	0.040	3	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){6|C<3>}	111.1480	0.000	1	111.1480	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	110.8990	0.143	2	110.8990	0.020	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]S)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]S)(N[5]C[5,6a]C)(O){4|C<3>}	111.3090	0.000	1	111.3090	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	111.0965	0.128	2	111.0965	0.016	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	111.0642	0.477	5	111.1580	0.177	7	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	111.3925	0.016	2	111.1580	0.177	7	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O){1|N<3>,6|C<3>}	111.5860	0.000	1	111.5860	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O){4|C<3>}	111.2903	0.223	6	111.2903	0.050	6	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	111.3977	0.339	6	111.3977	0.115	6	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]N[5a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]N[5a])(N[5]C[5,6a]C)(O){1|N<2>,5|C<3>}	111.5420	0.000	1	111.5420	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	110.8560	0.211	2	110.8560	0.044	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O){2|C<3>}	111.8470	0.000	1	111.8470	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]C)(O){2|C<3>}	110.6910	0.000	1	110.6910	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	111.2980	0.000	1	111.2980	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O){2|C<3>}	111.3700	0.000	1	111.1315	0.114	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O){2|C<3>}	110.8930	0.000	1	111.1315	0.114	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N[4]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[4]C)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>}	111.5190	0.000	1	111.5190	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[5](C[5]C[5,6a]N[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<3>}	111.7650	0.000	1	111.7650	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>}	111.5330	0.000	1	111.4137	0.042	3	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	111.3540	0.250	2	111.4137	0.042	3	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	111.2750	0.000	1	111.4670	0.055	3	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	111.5630	0.235	2	111.4670	0.055	3	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CClHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CClHH){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O){2|C<3>}	111.5160	0.000	1	111.5160	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	110.8780	0.000	1	110.8780	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	111.0520	0.242	2	111.0520	0.058	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	111.0515	0.095	2	111.0515	0.009	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O){4|C<3>}	110.8070	0.000	1	110.8070	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	110.4425	0.148	2	110.4425	0.022	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Br<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(O){2|C<3>}	111.4185	0.110	2	111.4185	0.012	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	111.5280	0.000	1	111.2020	0.292	36	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	111.3660	0.248	13	111.2020	0.292	36	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	111.0903	0.646	22	111.2020	0.292	36	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	110.9224	1.036	9	110.9343	0.955	10	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	111.0410	0.000	1	110.9343	0.955	10	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	111.2970	0.000	1	111.3056	0.090	15	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	111.2583	0.311	3	111.3056	0.090	15	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	111.4218	0.313	8	111.3056	0.090	15	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|N<2>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	110.8690	0.000	1	111.3056	0.090	15	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	111.1345	0.132	2	111.3056	0.090	15	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	111.1749	0.363	15	111.1823	0.110	18	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	111.2360	0.000	1	111.1823	0.110	18	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	111.1040	0.000	1	111.1823	0.110	18	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	111.3180	0.000	1	111.1823	0.110	18	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	111.8330	0.000	1	111.1814	0.296	27	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	112.0120	0.031	2	111.1814	0.296	27	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	111.0726	0.488	18	111.1814	0.296	27	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	111.8730	0.000	1	111.1814	0.296	27	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	110.6740	0.474	2	111.1814	0.296	27	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	111.1710	0.451	3	111.1814	0.296	27	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(O){2|C<3>}	111.1650	0.028	2	111.1650	0.001	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	111.3350	0.000	1	111.3350	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	111.5290	0.000	1	111.5267	0.073	3	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){5|C<3>}	111.7950	0.000	1	111.5267	0.073	3	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	111.2560	0.000	1	111.5267	0.073	3	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O){1|N<3>,4|C<3>}	110.7650	0.000	1	110.8895	0.031	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	111.0140	0.000	1	110.8895	0.031	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	111.4680	0.000	1	111.5494	0.033	5	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	111.5990	0.000	1	111.5494	0.033	5	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	111.8470	0.000	1	111.5494	0.033	5	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	111.4180	0.000	1	111.5494	0.033	5	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){5|C<3>}	111.4150	0.000	1	111.5494	0.033	5	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	111.3450	0.000	1	111.3369	0.130	7	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,3|C<3>}	111.2130	0.000	1	111.3369	0.130	7	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|N<3>,4|C<3>}	111.4985	0.740	2	111.3369	0.130	7	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|O<2>,2|C<3>,2|C<4>}	111.3760	0.000	1	111.3369	0.130	7	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	111.2135	0.361	2	111.3369	0.130	7	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	111.4460	0.000	1	111.3104	0.029	5	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	111.4520	0.000	1	111.3104	0.029	5	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|F<1>,4|C<3>}	111.3910	0.000	1	111.3104	0.029	5	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,3|C<3>}	111.1315	0.091	2	111.3104	0.029	5	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	111.8190	0.000	1	111.8190	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>}	111.6970	0.000	1	111.2000	3.684	3	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	110.9515	2.645	2	111.2000	3.684	3	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O){1|H<1>,6|C<3>}	111.2750	0.000	1	111.2750	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	110.9140	0.525	2	110.9140	0.275	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){6|C<3>}	111.4650	0.000	1	111.4650	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O){1|O<2>,3|C<3>}	112.0750	0.000	1	112.0750	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O){4|C<3>}	111.2435	0.629	2	111.2435	0.395	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>}	111.3930	0.000	1	111.0725	0.205	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	110.7520	0.000	1	111.0725	0.205	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6]F)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[6]F)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	111.0750	0.000	1	111.0750	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	111.1210	0.000	1	111.1210	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[6]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	111.1700	0.000	1	111.1700	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){4|C<3>}	111.4370	0.267	2	111.4370	0.071	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	111.4390	0.000	1	111.4390	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	111.2874	0.250	13	111.3459	0.077	15	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	111.7265	0.018	2	111.3459	0.077	15	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O){7|C<3>}	111.4935	0.689	2	111.4935	0.475	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(O){4|C<3>}	111.4900	0.000	1	111.4900	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	111.2120	0.000	1	111.2120	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]S)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]S)(N[5]C[5,6a]C)(O){4|C<3>}	112.3270	0.362	2	112.3270	0.131	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	111.3800	0.000	1	111.3800	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O){2|C<3>}	111.0350	0.000	1	111.0350	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]NO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]NO)(N[5]C[5,6a]C)(O){2|C<3>}	111.3090	0.000	1	111.3090	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>}	110.7240	0.000	1	111.7695	2.186	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O){4|C<3>}	112.8150	0.000	1	111.7695	2.186	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	111.3355	0.887	2	111.3355	0.788	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N[5a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	112.2000	0.327	2	112.2000	0.107	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]N[5a]S)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]S)(N[5]C[5,6a]C)(O){4|C<3>}	111.4820	0.130	2	111.4820	0.017	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	110.5800	0.000	2	110.5800	0.000	2	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){1|O<2>,5|C<3>}	110.4480	0.000	1	110.4480	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	110.3990	0.000	1	110.3990	0.000	1	111.1578	0.331	358	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(S){1|H<1>,4|C<3>}	112.0335	0.142	2	112.0335	0.020	2	112.0335	0.020	2	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	P[5]-4:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](P[5]C[5,6a]Cu2)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){2|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cu<4>,1|C<3>,3|H<1>}	C[5](P[5]C[5,6a]Cu2)(N[5]C[5,6a]C)(H){2|C<3>}	113.2484	0.436	5	113.2484	0.190	5	113.2484	0.190	5	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]S)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	111.4820	0.376	2	111.4820	0.142	2	110.1742	1.752	5	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	109.0470	0.880	2	109.3023	0.582	3	110.1742	1.752	5	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]S)(O){2|H<1>,4|C<3>}	109.8130	0.000	1	109.3023	0.582	3	110.1742	1.752	5	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(O){2|C<2>,2|H<1>,4|C<3>}	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SCOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SCOO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O){2|C<3>}	110.4850	0.000	2	110.4850	0.000	2	110.2220	0.221	7	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O){2|C<3>}	110.5000	0.000	1	110.5000	0.000	1	110.2220	0.221	7	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]S)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]S)(O){2|C<3>}	109.9580	0.000	1	109.9580	0.000	1	110.2220	0.221	7	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]S)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]S)(O){1|C<4>,1|N<2>,2|C<3>}	110.7510	0.000	1	110.7510	0.000	1	110.2220	0.221	7	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(O){4|C<3>}	109.6875	0.433	2	109.6875	0.188	2	110.2220	0.221	7	111.1672	0.409	972	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(NS){1|C<4>,2|H<1>,3|C<3>}	110.1330	0.000	1	110.1330	0.000	1	110.7045	0.653	2	111.6176	0.452	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(NS){3|C<3>,3|H<1>}	111.2760	0.000	1	111.2760	0.000	1	110.7045	0.653	2	111.6176	0.452	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NS){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.2660	0.000	1	112.2660	0.000	1	112.1718	0.011	4	111.6176	0.452	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS){2|C<4>,3|C<3>}	112.1403	0.103	3	112.1403	0.011	3	112.1718	0.011	4	111.6176	0.452	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CCHH){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(NS){2|C<3>}	111.9140	0.000	1	111.9140	0.000	1	111.5689	0.326	8	111.6176	0.452	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(NS){2|C<3>}	111.6440	0.000	1	111.6440	0.000	1	111.5689	0.326	8	111.6176	0.452	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(NS){2|C<3>}	111.1220	0.000	1	111.1220	0.000	1	111.5689	0.326	8	111.6176	0.452	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(NS){2|C<3>}	111.9320	0.000	1	111.9320	0.000	1	111.5689	0.326	8	111.6176	0.452	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(NS){6|C<3>}	110.4140	0.000	1	110.4140	0.000	1	111.5689	0.326	8	111.6176	0.452	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS){4|C<3>}	111.6400	0.147	2	111.6400	0.022	2	111.5689	0.326	8	111.6176	0.452	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(NS){4|C<3>}	112.2450	0.000	1	112.2450	0.000	1	111.5689	0.326	8	111.6176	0.452	14	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	B[5]-4:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](B[5]C[5]O[5]H)(N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](B[5]C[5]O[5]H)(N[5]C[5,6a]C)2{1|C<4>,1|H<1>,4|C<3>}	109.6640	0.475	2	109.6640	0.226	2	109.6640	0.226	2	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H){2|C<3>}	111.1470	0.000	1	111.1470	0.000	1	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H){2|C<3>}	111.3224	0.253	5	111.3224	0.064	5	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	111.4485	0.485	26	111.4485	0.235	26	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H){2|C<3>}	111.2260	0.164	2	111.2260	0.027	2	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H){2|C<3>}	111.2770	0.503	2	111.2770	0.253	2	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H){2|C<3>}	111.0750	0.000	1	111.0750	0.000	1	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCC){2|C<3>}	110.8170	0.000	1	110.8170	0.000	1	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	111.5210	0.367	3	111.5210	0.135	3	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|F<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	110.1340	0.143	2	110.1340	0.020	2	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	111.5573	0.346	7	111.5573	0.120	7	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	111.6733	0.284	32	111.6733	0.080	32	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H){2|C<3>}	111.9030	0.004	2	111.9030	0.000	2	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[5]I)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[5]I){2|C<3>}	111.9570	0.246	2	111.9570	0.061	2	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H){2|C<3>}	111.4310	0.000	1	111.4310	0.000	1	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CHN){2|C<3>}	111.5260	0.116	2	111.5260	0.013	2	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(CCH){1|C<4>,3|C<3>}	111.2790	0.000	1	111.2790	0.000	1	111.5009	0.188	90	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,5]C[5]O)(N[5]C[5,6a]Cu)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH){1|Cu<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]C[5]O)(N[5]C[5,6a]Cu)(N[5]C[5,6a]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	106.6960	0.000	1	106.6960	0.000	1	106.6960	0.000	1	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]S)(CHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]S)(CHH){2|C<4>,3|C<3>}	108.1500	0.000	1	108.1500	0.000	1	107.3390	1.315	2	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CC[6a]H){2|C<3>}	106.5280	0.000	1	106.5280	0.000	1	107.3390	1.315	2	111.3240	0.849	95	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	110.8175	0.322	2	110.8175	0.104	2	111.0523	0.444	8	111.0523	0.444	8	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	111.1153	0.972	4	111.1153	0.944	4	111.0523	0.444	8	111.0523	0.444	8	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	111.1610	0.143	2	111.1610	0.020	2	111.0523	0.444	8	111.0523	0.444	8	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:5:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:B-5:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BReH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SRe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BReH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SRe){2|C<3>}	114.1830	0.000	2	114.1830	0.000	2	114.1830	0.000	2	114.1830	0.000	2	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]Co)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Co<6>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]Co)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	106.3565	0.452	4	106.3565	0.204	4	106.3251	1.320	12	106.5642	1.953	13	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]Pd)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]Pd)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	106.4810	0.294	2	106.4810	0.087	2	106.3251	1.320	12	106.5642	1.953	13	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]Pt)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]Pt)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	103.3500	0.000	1	105.9592	4.145	4	106.3251	1.320	12	106.5642	1.953	13	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]Pt)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]Pt)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	108.3250	0.000	1	105.9592	4.145	4	106.3251	1.320	12	106.5642	1.953	13	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]Pt)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]Pt)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	106.0810	0.000	2	105.9592	4.145	4	106.3251	1.320	12	106.5642	1.953	13	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]Rh)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Rh<8>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Rh<8>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]Rh)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	106.8380	0.522	2	106.8380	0.272	2	106.3251	1.320	12	106.5642	1.953	13	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,1|S<1>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]H)(S){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	106.5642	1.953	13	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:B[6]-4:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]2H)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]B[6])(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]2H)(C[5]S[5]S){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|N<3>,3|H<1>}	C[5](N[5]C[5,6a]B[6])(S[5]C[5,6a])(S){1|H<1>,2|C<3>,2|N<3>}	113.5270	0.000	1	113.5270	0.000	1	113.5270	0.000	1	113.5270	0.000	1	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(CC[3x6]HH)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(CC[3x6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.1700	0.000	1	108.1700	0.000	1	108.3193	0.018	3	108.2879	2.707	15	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	108.3940	0.059	2	108.3940	0.004	2	108.3193	0.018	3	108.2879	2.707	15	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[3x6]-4:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[3x6])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]H){2|C<3>,4|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[5](N[5]C[5,6a]C[3x6])(N[5]C[5,6a]C)(H){2|C<3>,3|C<4>}	107.0090	0.000	1	107.0090	0.000	1	107.0090	0.000	1	108.2879	2.707	15	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	108.1720	0.000	1	108.1720	0.000	1	106.8362	0.549	6	108.2879	2.707	15	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]Co)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Co<6>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]Co)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	106.5690	0.388	5	106.5690	0.151	5	106.8362	0.549	6	108.2879	2.707	15	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C[6])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C[6])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	110.7990	0.421	2	110.7990	0.178	2	110.7990	0.178	2	108.2879	2.707	15	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	108.2879	2.707	15	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|S<1>,3|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(S){1|H<1>,2|C<3>,2|C<4>}	109.7630	0.034	2	109.7630	0.001	2	109.7630	0.001	2	108.2879	2.707	15	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]Rh)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]Rh){1|H<1>,2|C<3>,2|C<4>}	109.9465	0.245	2	109.9465	0.060	2	109.9465	0.060	2	109.9465	0.060	2	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH){1|H<1>,2|C<3>,2|C<4>}	108.0482	0.153	8	108.0482	0.023	8	108.0482	0.023	8	108.0482	0.023	8	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O){1|O<2>,2|C<3>,2|C<4>}	110.2050	0.000	1	110.2050	0.000	1	110.2050	0.000	1	110.2050	0.000	1	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:5:3:	3:3:3:	3:2:2:	C[5,6a]-3:B-5:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(BN[5]ReHH)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SRe)	N[5](C[5,6a]C[5,6a]C[6a])(BN[5]ReHH)(C[5]S[5]S){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SRe){2|C<3>}	111.6510	0.000	1	111.6510	0.000	1	112.1599	0.284	9	112.1599	0.284	9	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:5:3:	3:3:3:	3:2:2:	C[5,6a]-3:B-5:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(BN[5]RuHH)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SRu)	N[5](C[5,6a]C[5,6a]C[6a])(BN[5]RuHH)(C[5]S[5]S){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(SRu){2|C<3>}	112.2235	0.532	8	112.2235	0.283	8	112.1599	0.284	9	112.1599	0.284	9	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:5:3:	3:3:3:	3:3:3:	C[5,6a]-3:In[5]-5:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5,6]O[5]Cl2)(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]In[5])(C[6a]C[6a]N[6a])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5,6]O[5]Cl2)(C[5]C[6a]N[5]){1|N<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]In[5])(C[6a]C[6a]N[6a])(N[5]C[5,6a]H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	105.4905	0.371	2	105.4905	0.138	2	105.4905	0.138	2	105.4905	0.138	2	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:5:3:	3:3:3:	3:3:4:	C[5,6a]-3:Ge-5:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C){1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	106.9500	0.000	1	107.3157	0.155	3	107.3157	0.155	3	107.3157	0.155	3	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP2_SP2_SP2	N[5]	C[5,6a]	C[5]	3:5:3:	3:3:3:	3:3:4:	C[5,6a]-3:Ge-5:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	107.4985	0.332	2	107.3157	0.155	3	107.3157	0.155	3	107.3157	0.155	3	109.8328	4.193	5006	109.8253	4.368	5286
542	727	818	5:SP3_SP2_SP2	N[5,6]	C[5,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6])	N[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]){1|N<3>,1|O<1>,2|C<3>,4|C<4>,6|H<1>}	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H)	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H){2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	106.5540	2.088	6	106.5540	4.360	6	106.5540	4.360	6	106.5540	4.360	6	107.0006	3.798	8	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5,6]	C[5,6a]	C[5,6]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]C[5])(C[5]C[5,6a]O)	N[5,6](C[5,6]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){2|H<1>,2|N<3>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	108.3405	0.013	2	108.3405	0.000	2	108.3405	0.000	2	108.3405	0.000	2	107.0006	3.798	8	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	108.5410	0.000	1	108.5410	0.000	1	108.4433	0.955	4	108.4433	0.955	4	106.8399	4.341	10	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	107.0930	0.000	1	107.9050	1.319	2	108.4433	0.955	4	108.4433	0.955	4	106.8399	4.341	10	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	108.7170	0.000	1	107.9050	1.319	2	108.4433	0.955	4	108.4433	0.955	4	106.8399	4.341	10	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	109.4220	0.000	1	109.4220	0.000	1	108.4433	0.955	4	108.4433	0.955	4	106.8399	4.341	10	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6]-3:C[5,6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	105.7710	1.953	6	105.7710	3.813	6	105.7710	3.813	6	105.7710	3.813	6	106.8399	4.341	10	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]H)2(NC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](N[5]C[5,6a]H)2(NC){2|C<3>}	106.8960	0.000	1	106.8960	0.000	1	106.8960	0.000	1	106.8960	0.000	1	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H){2|C<3>}	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(CCHH){2|C<3>}	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	110.9755	0.456	2	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5,6a])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5,6a])(N[5]C[5,6a]H)(O){2|C<4>,2|O<2>,4|C<3>}	111.4530	0.000	1	111.4530	0.000	1	111.4530	0.000	1	110.9755	0.456	2	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]O)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]O)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	113.2800	0.000	1	113.2800	0.000	1	113.2800	0.000	1	113.2800	0.000	1	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	108.8235	0.305	2	108.8235	0.093	2	108.8235	0.093	2	108.2598	1.112	5	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6,6,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	C[5](C[6a]C[6,6,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir){1|C<4>,6|C<3>}	106.4190	0.000	1	106.4190	0.000	1	106.4190	0.000	1	108.2598	1.112	5	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]N[5]){1|O<1>,7|C<3>}	108.6165	0.275	2	108.6165	0.076	2	108.6165	0.076	2	108.2598	1.112	5	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:S[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a]){1|C<4>,4|C<3>}	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|C<4>,2|O<2>,4|C<3>}	107.8810	0.000	1	107.5940	1.091	3	107.5940	1.091	3	106.7330	1.101	8	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|H<1>,2|O<2>,4|C<3>}	106.4360	0.000	1	107.5940	1.091	3	107.5940	1.091	3	106.7330	1.101	8	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){2|O<2>,5|C<3>}	108.4650	0.000	1	107.5940	1.091	3	107.5940	1.091	3	106.7330	1.101	8	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	106.4060	0.086	2	106.4060	0.007	2	106.5233	0.028	4	106.7330	1.101	8	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	106.6405	0.148	2	106.6405	0.022	2	106.5233	0.028	4	106.7330	1.101	8	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CC[6a]H){2|C<3>}	104.9890	0.000	1	104.9890	0.000	1	104.9890	0.000	1	106.7330	1.101	8	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CC[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CC[5]HH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	109.7830	0.000	1	109.7830	0.000	1	109.7830	0.000	1	107.9140	1.691	5	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SCOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SCOO){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CC[6a]H){4|C<3>}	106.9300	0.000	1	106.9300	0.000	1	107.4468	0.799	4	107.9140	1.691	5	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CHI)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CHI){4|C<3>}	108.2020	0.018	2	108.2020	0.000	2	107.4468	0.799	4	107.9140	1.691	5	108.1646	3.432	25	107.6137	3.858	44
542	727	818	5:SP3_SP2_SP2	N[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CC[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CC[6a]2){2|C<3>}	106.4530	0.000	1	106.4530	0.000	1	107.4468	0.799	4	107.9140	1.691	5	108.1646	3.432	25	107.6137	3.858	44
542	727	818	6:SP2_SP2_SP2	N[5,6]	C[5a,6]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[5,6]-3:C[5]-3:	N[5a,6]-3:N[5,6]-3:N[5a]-2:	N[5a,6]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5a,6]N[5])(C[5]C[5]H)	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(N[5a]C[5a])	C[5,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5a,6]C[5])(N[5]C[5]Cu)	N[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5a,6]N[5])(C[5]C[5]H){1|Cu<5>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5a,6]C[5])(N[5]C[5]Cu){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	123.3430	0.000	1	123.3430	0.000	1	123.3430	0.000	1	123.3430	0.000	1	122.9967	0.134	3	122.9967	0.134	3
542	727	818	6:SP2_SP2_SP2	N[5,6]	C[5a,6]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5a,6]-3:C[5,6]-3:C[5]-4:	N[5a,6]-3:N[5,6]-3:C[5a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-2:	N[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5,6]C[5,6]C[5])(C[5a]C[5a]N[5a])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5a,6]C[5])(N[5]C[5])	N[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5,6]C[5,6]C[5])(C[5a]C[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5a,6]C[5])(N[5]C[5]){1|N<3>,3|C<3>,5|H<1>}	122.8235	0.298	2	122.8235	0.089	2	122.8235	0.089	2	122.8235	0.089	2	122.9967	0.134	3	122.9967	0.134	3