727	537	730	0:SP2_SP2_SP2	C[5a]	O[5a]	As	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:As-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(AsC[5a]2)	O[5a](C[5a]C[5a]As)(C[5a]C[5a]H)	As(C[5a]C[5a]O[5a])3	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(AsC[5a]2){2|H<1>}	O[5a](C[5a]C[5a]As)(C[5a]C[5a]H){2|H<1>}	As(C[5a]C[5a]O[5a])3	119.5053	2.823	3	119.5053	7.968	3	119.5053	7.968	3	119.5053	7.968	3	119.5053	7.968	3	119.5053	7.968	3
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:2:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<2>,1|C<3>,1|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	128.6620	0.000	1	128.6620	0.000	1	128.6620	0.000	1	128.6620	0.000	1	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Ni<6>,3|C<3>}	127.8590	0.229	2	127.8590	0.052	2	126.4440	1.693	5	124.9864	7.019	17	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Ir<6>,3|C<3>}	125.5007	0.151	3	125.5007	0.023	3	126.4440	1.693	5	124.9864	7.019	17	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]N[6]H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]Zn)(H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]N[6]H){1|Zn<6>,2|C<3>,2|H<1>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]Zn)(H){4|C<3>}	126.6172	0.279	4	126.6172	0.078	4	126.6172	0.078	4	124.9864	7.019	17	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6]){1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	120.8915	0.436	2	120.8915	0.190	2	120.8588	0.079	4	124.9864	7.019	17	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	120.6790	0.000	1	120.8260	0.043	2	120.8588	0.079	4	124.9864	7.019	17	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,5|C<3>}	120.9730	0.000	1	120.8260	0.043	2	120.8588	0.079	4	124.9864	7.019	17	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-3:Cl-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]Cl)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]N[6])(Cl)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]Cl){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]N[6])(Cl){1|C<4>,5|C<3>}	122.5240	0.000	1	122.5240	0.000	1	122.5240	0.000	1	124.9864	7.019	17	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Co<4>,3|C<3>}	126.7480	0.000	1	126.4210	0.214	2	126.4210	0.214	2	124.9864	7.019	17	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Cu<5>,3|C<3>}	126.0940	0.000	1	126.4210	0.214	2	126.4210	0.214	2	124.9864	7.019	17	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:3:1:	N[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	O[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	127.2790	0.000	1	127.2790	0.000	1	127.2790	0.000	1	124.9864	7.019	17	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:3:2:	N[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:C-2:	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	O[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(CN)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(CN){1|H<1>,3|C<3>}	127.6750	0.000	1	127.6750	0.000	1	127.6750	0.000	1	127.6750	0.000	1	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:3:4:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](C[5a,6]N[5a]N[6])(O[5a]C[5a])(C[6]C[6]C)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(CH3)	C[5a,6](C[5a,6]N[5a]N[6])(O[5a]C[5a])(C[6]C[6]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	128.7670	0.000	1	128.7670	0.000	1	128.7670	0.000	1	125.1695	25.884	2	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:3:4:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:N[6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]O)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]C){1|O<1>,1|P<4>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]O)(CH3){1|C<4>,3|C<3>}	121.5720	0.000	1	121.5720	0.000	1	121.5720	0.000	1	125.1695	25.884	2	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:4:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a]O[6])(O[5a]C[5a])(C[6]C[6]O)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a]O[6])(O[5a]C[5a])(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	124.5790	0.000	1	124.5790	0.000	1	124.5790	0.000	1	121.3020	8.054	3	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:4:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]BrC)(O)	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O){1|Br<1>,1|S<4>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]BrC)(O){1|H<1>,1|N<3>,3|C<3>}	119.6490	0.000	1	119.6490	0.000	1	119.6635	0.000	2	121.3020	8.054	3	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:4:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]ClC)(O)	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O){1|Cl<1>,1|S<4>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]ClC)(O){1|H<1>,1|N<3>,3|C<3>}	119.6780	0.000	1	119.6780	0.000	1	119.6635	0.000	2	121.3020	8.054	3	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:4:3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CC[6a]H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|Br<1>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.2460	0.000	1	121.2460	0.000	1	122.6120	3.732	2	122.6120	3.732	2	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	3:3:	3:4:3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(CCH)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|N<3>,6|H<1>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(CCH){1|C<4>,1|S<4>,2|C<3>}	123.9780	0.000	1	123.9780	0.000	1	122.6120	3.732	2	122.6120	3.732	2	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:2:3:	4:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	B[5a]-4:C[5a,6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]O[5a]N[6])(O[5a]B[5a])(C[6]C[6]H)	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]O[5a]N[6])(O[5a]B[5a])(C[6]C[6]H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>}	130.2600	0.000	1	130.2600	0.000	1	130.2600	0.000	1	130.2600	0.000	1	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:2:	3:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]N[5a]){2|C<4>,3|H<1>}	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|N<2>,2|H<1>,4|C<4>}	123.0570	0.000	1	123.0570	0.000	1	123.0570	0.000	1	123.0570	0.000	1	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	123.7505	0.563	4	124.1907	0.677	6	124.4069	0.443	11	123.4093	1.576	21	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	125.0710	0.331	2	124.1907	0.677	6	124.4069	0.443	11	123.4093	1.576	21	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	124.5965	0.330	4	124.6664	0.106	5	124.4069	0.443	11	123.4093	1.576	21	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	124.9460	0.000	1	124.6664	0.106	5	124.4069	0.443	11	123.4093	1.576	21	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[6,6a]O)(O[5a]C[5a,6])	O[5a](C[5a,6]C[5a,6]C[6])2	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[6,6a]O)(O[5a]C[5a,6]){1|C<4>,1|O<1>,3|C<3>}	O[5a](C[5a,6]C[5a,6]C[6])2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	121.4740	0.000	1	121.4740	0.000	1	121.4740	0.000	1	123.4093	1.576	21	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,4|C<4>}	122.4070	0.000	1	122.4070	0.000	1	122.4070	0.000	1	123.4093	1.576	21	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	123.1800	0.000	1	123.1800	0.000	1	122.5787	1.174	3	123.4093	1.576	21	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|O<1>,4|C<3>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	121.3280	0.000	1	121.3280	0.000	1	122.5787	1.174	3	123.4093	1.576	21	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]O[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]O[6a])(O){5|C<3>}	123.2280	0.000	1	123.2280	0.000	1	122.5787	1.174	3	123.4093	1.576	21	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[5a,6]C[5a,6]O[5a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[5a,6]C[5a,6]O[5a])(O){1|C<4>,5|C<3>}	122.3004	0.453	5	122.3004	0.205	5	122.3004	0.205	5	123.4093	1.576	21	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6]C[6a]C[6])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6]C[6a]C[6])(O[5a]C[5a,6a]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	122.9790	0.000	1	122.9790	0.000	1	122.9790	0.000	1	122.9790	0.000	1	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:4:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]C)(O)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]C)(O){1|H<1>,2|C<4>,3|C<3>}	123.8220	0.000	1	123.8220	0.000	1	122.2198	1.326	4	121.3708	3.409	6	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:4:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.4620	0.000	1	121.4620	0.000	1	122.2198	1.326	4	121.3708	3.409	6	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:4:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,3|C<3>}	121.7975	0.692	2	121.7975	0.479	2	122.2198	1.326	4	121.3708	3.409	6	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:4:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6]-4:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]C[5a]){3|H<1>,4|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	118.1860	0.000	1	118.1860	0.000	1	118.1860	0.000	1	121.3708	3.409	6	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	3:4:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a]){3|C<4>,4|H<1>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(O){2|C<4>,3|C<3>,3|H<1>}	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1	121.3708	3.409	6	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	4:3:1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[6,6]-4:C[5a,6]-3:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5a,6]C[5a,6,6]O[5a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6]O)(O[5a]C[5a]){1|C<3>,2|H<1>,4|C<4>}	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5a,6]C[5a,6,6]O[5a])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	125.6360	0.000	1	125.6360	0.000	1	125.6360	0.000	1	124.9532	0.374	4	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	4:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6](C[5,6]C[5,5]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	124.6360	0.672	2	124.6360	0.451	2	124.7257	0.250	3	124.9532	0.374	4	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:3:	4:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[6](C[5,6]C[5,6]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O){1|H<1>,2|C<4>,3|C<3>}	124.9050	0.000	1	124.9050	0.000	1	124.7257	0.250	3	124.9532	0.374	4	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a,6]	O[5a]	C[6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:B[5a]-4:	C[5a,6]-3:C[6a]-3:O[6]-2:	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]C[6a]O[6])(O[5a]B[5a])	O[5a](C[5a,6]C[5a,6]C[6])(B[5a]O[5a]FF)	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]C[6a]O[6])(O[5a]B[5a]){2|F<1>,4|C<3>}	O[5a](C[5a,6]C[5a,6]C[6])(B[5a]O[5a]FF){1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a]){1|B<4>,1|O<2>,2|H<1>,4|C<3>}	128.1710	0.000	1	128.1710	0.000	1	128.1710	0.000	1	128.1710	0.000	1	124.0111	6.648	61	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	2:2:3:	3:2:	4:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[6]-4:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(C[6]C[6]2)	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N)	C[5a](N[5a]C[5a])(O[5a]N[5a])(C[6]C[6]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N){1|C<4>,1|N<2>,4|C<3>}	117.7000	0.000	1	117.7000	0.000	1	117.7000	0.000	1	117.7000	0.000	1	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	118.1120	0.000	1	118.1120	0.000	1	118.1120	0.000	1	119.4206	2.576	45	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(C[6]C[6]2)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]C[5a])(O[5a]C[5a])(C[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,4|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|H<1>,3|C<3>}	127.3430	0.000	1	127.3430	0.000	1	119.4504	2.595	44	119.4206	2.576	45	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){4|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	117.3050	0.000	1	118.2847	2.409	3	119.4504	2.595	44	119.4206	2.576	45	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){4|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|H<1>,1|N<2>,2|C<3>}	117.4750	0.000	1	118.2847	2.409	3	119.4504	2.595	44	119.4206	2.576	45	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){4|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	120.0740	0.000	1	118.2847	2.409	3	119.4504	2.595	44	119.4206	2.576	45	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){4|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.1617	0.995	12	119.1617	0.990	12	119.4504	2.595	44	119.4206	2.576	45	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|S<2>,2|C<3>,2|H<1>}	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S){2|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.8030	1.089	2	118.8030	1.186	2	119.4504	2.595	44	119.4206	2.576	45	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	O[5a](C[5a]N[5a]C[6])2	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	O[5a](C[5a]N[5a]C[6])2{4|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.4643	1.029	26	119.4643	1.060	26	119.4504	2.595	44	119.4206	2.576	45	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:2:	3:2:	3:2:3:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[6]-2:C[6]-3:	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(O[6]C[6,6a])(C[6]C[6]O)	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(O[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>}	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|O<2>,2|C<3>}	C[6](C[5a]N[5a]O[5a])(O[6]C[6,6a])(C[6]C[6]O){1|N<2>,2|H<1>,3|C<3>}	119.7950	0.000	1	119.7950	0.000	1	119.7950	0.000	1	119.7950	0.000	1	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:2:	3:3:	3:3:2:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:N[6]-2:	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]O[5a])(C[6]N[6]H)(N[6]C[6])	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){2|C<3>,2|N<2>}	C[6](C[5a]N[5a]O[5a])(C[6]N[6]H)(N[6]C[6]){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	118.2910	0.000	1	118.2910	0.000	1	118.2910	0.000	1	118.2910	0.000	1	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	118.4250	7.184	2	118.4250	51.613	2	117.9892	17.460	4	117.9892	17.460	4	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|Cu<6>,1|H<1>,3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|N<3>,3|C<3>}	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.4900	0.000	1	117.4900	0.000	1	117.9892	17.460	4	117.9892	17.460	4	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|Zn<6>,1|H<1>,3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|N<3>,3|C<3>}	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.6170	0.000	1	117.6170	0.000	1	117.9892	17.460	4	117.9892	17.460	4	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:3:	3:2:	3:4:3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(C[6]C[6]2)	O[5a](C[5a]C[5a]C[6])(N[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(C[6]C[6]2){1|C<3>,2|C<4>,3|H<1>}	O[5a](C[5a]C[5a]C[6])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	118.2540	0.000	1	118.2540	0.000	1	118.2540	0.000	1	118.2540	0.000	1	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:3:	3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-2:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(C[6]C[6])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,2|C<3>,2|N<2>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(C[6]C[6]){3|C<3>,3|H<1>}	116.1230	0.000	1	116.1230	0.000	1	116.1230	0.000	1	115.9410	0.066	2	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:3:	3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]O[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6])(O[6]C[6])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]O[6]){1|C<4>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6])(O[6]C[6]){1|Br<1>,2|H<1>,6|C<3>}	115.7590	0.000	1	115.7590	0.000	1	115.7590	0.000	1	115.9410	0.066	2	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6]C[6,6a]2)	O[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a,6a]O[5a])	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6]C[6,6a]2){8|C<3>}	O[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6]){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a,6a]O[5a]){1|N<3>,2|O<2>,7|C<3>}	110.3030	0.000	1	110.3030	0.000	1	110.3030	0.000	1	115.1527	6.530	6	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){2|H<1>,4|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	115.7070	0.000	1	115.7070	0.000	1	115.2310	0.453	2	115.1527	6.530	6	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[6](C[5a]C[5a]O[5a])(C[6]N[6]H)(C[6]N[6]O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){2|H<1>,4|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]N[6]H)(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	114.7550	0.000	1	114.7550	0.000	1	115.2310	0.453	2	115.1527	6.530	6	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6]C[6]N[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6]C[6]N[6]){1|Cu<4>,1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|H<1>,2|N<3>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	115.9240	0.000	1	115.9240	0.000	1	115.9240	0.000	1	115.1527	6.530	6	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	116.6760	0.000	1	116.6760	0.000	1	117.1135	0.383	2	115.1527	6.530	6	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	117.5510	0.000	1	117.5510	0.000	1	117.1135	0.383	2	115.1527	6.530	6	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:2:3:	3:3:	3:4:3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,5|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.9950	0.000	1	116.9950	0.000	1	116.9950	0.000	1	116.9950	0.000	1	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:3:2:	3:3:	3:2:2:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-2:O[6]-2:	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6])(O[6]B[6])	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|B<4>,1|C<3>,2|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	124.7340	0.000	1	124.7340	0.000	1	124.7340	0.000	1	124.7340	0.000	1	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]H)(O[6]C[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]H)(O[6]C[6]){1|H<1>,1|S<1>,4|C<3>}	116.2890	0.000	2	116.2890	0.000	2	116.9963	2.787	7	116.9963	2.787	7	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]Cl)(O[6]C[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]Cl)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	116.8515	3.697	2	116.8515	13.671	2	116.9963	2.787	7	116.9963	2.787	7	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|B<4>,1|C<3>,3|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	117.5643	0.721	3	117.5643	0.520	3	116.9963	2.787	7	116.9963	2.787	7	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5,6]-3:C[5a]-3:N[6]-3:	C[5a](C[6]C[5,6]N[6])(C[5a]C[5a]Pd)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](C[5,6]C[5,6]N[5])(C[5a]C[5a]O[5a])(N[6]C[6]Pd)	C[5a](C[6]C[5,6]N[6])(C[5a]C[5a]Pd)(O[5a]C[5a]){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[5a]C[5a]O[5a])(N[6]C[6]Pd){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	119.8940	0.000	1	119.8940	0.000	1	119.8940	0.000	1	117.3818	2.932	4	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a])	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a]){1|B<4>,3|H<1>,6|C<3>}	116.6610	0.000	1	116.6610	0.000	1	116.6610	0.000	1	117.3818	2.932	4	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	116.9110	0.000	1	116.9110	0.000	1	116.9110	0.000	1	117.3818	2.932	4	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|Cu<4>,2|C<3>,3|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	116.0610	0.000	1	116.0610	0.000	1	116.0610	0.000	1	117.3818	2.932	4	118.5031	5.699	75	120.9736	13.638	136
727	537	762	0:SP2_SP2_SP2	C[5a]	O[5a]	C[6]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a,6a]H)(C[6]C[5,6]C[6])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)	C[5a](C[5a]C[5a,6a]H)(C[6]C[5,6]C[6])(O[5a]C[5a,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	114.7760	0.000	1	114.7760	0.000	1	114.7760	0.000	1	114.7760	0.000	1	118.5031	5.699	75	120.9736	13.638	136
727	537	770	0:SP2_SP2_SP2	C[5a]	O[5a]	B	3:2:3:	3:3:	3:2:2:	C[5a]-3:O[5a]-2:B-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-2:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(BOO)	O[5a](C[5a]C[5a]B)(C[5a]C[5a]H)	B(C[5a]C[5a]O[5a])(OH)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(BOO){2|H<1>}	O[5a](C[5a]C[5a]B)(C[5a]C[5a]H){1|C<3>,1|H<1>}	B(C[5a]C[5a]O[5a])(OH)2	116.8520	0.000	1	116.8520	0.000	1	118.3680	4.597	2	118.3680	4.597	2	119.1212	6.249	10	119.1212	6.249	10
727	537	770	0:SP2_SP2_SP2	C[5a]	O[5a]	B	3:2:3:	3:3:	3:2:2:	C[5a]-3:O[5a]-2:B-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(BOO)	O[5a](C[5a]C[5a]B)(C[5a]C[5a]C)	B(C[5a]C[5a]O[5a])(OH)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(BOO){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]B)(C[5a]C[5a]C){2|H<1>}	B(C[5a]C[5a]O[5a])(OH)2	119.8840	0.000	1	119.8840	0.000	1	118.3680	4.597	2	118.3680	4.597	2	119.1212	6.249	10	119.1212	6.249	10
727	537	770	0:SP2_SP2_SP2	C[5a]	O[5a]	B	3:3:2:	3:3:	3:3:3:	B-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]B)(C[5a]C[5a]I)	B(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|H<1>,1|I<1>}	O[5a](C[5a]C[5a]B)(C[5a]C[5a]I){2|H<1>}	B(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	119.4325	2.744	6	119.4325	7.530	6	119.3095	7.176	8	119.3095	7.176	8	119.1212	6.249	10	119.1212	6.249	10
727	537	770	0:SP2_SP2_SP2	C[5a]	O[5a]	B	3:3:2:	3:3:	3:3:3:	B-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]B)	B(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>}	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]B){2|H<1>}	B(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	118.9405	3.495	2	118.9405	12.217	2	119.3095	7.176	8	119.3095	7.176	8	119.1212	6.249	10	119.1212	6.249	10
727	537	790	0:SP2_SP-NON_SP2	C[5a]	O[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Cl)	O[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	Cl(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Cl){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){2|H<1>}	Cl(C[5a]C[5a]O[5a])	114.9900	0.000	1	115.1903	0.207	3	115.5468	0.646	4	115.5468	0.646	4	115.5468	0.646	4	115.5468	0.646	4
727	537	790	0:SP2_SP-NON_SP2	C[5a]	O[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Cl)	O[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	Cl(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Cl){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){2|H<1>}	Cl(C[5a]C[5a]O[5a])	115.2905	0.595	2	115.1903	0.207	3	115.5468	0.646	4	115.5468	0.646	4	115.5468	0.646	4	115.5468	0.646	4
727	537	790	0:SP2_SP-NON_SP2	C[5a]	O[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(O[5a]C[5a])(Cl)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]Cl)	Cl(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]C[6])(O[5a]C[5a])(Cl){1|C<3>,1|H<1>,2|S<2>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]Cl){1|C<4>,2|C<3>}	Cl(C[5a]C[5a]O[5a])	116.6160	0.000	1	116.6160	0.000	1	115.5468	0.646	4	115.5468	0.646	4	115.5468	0.646	4	115.5468	0.646	4
727	537	813	0:SP2_SP2_SP2	C[5a,5a]	O[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,5a]-3:N[5a,6]-3:O[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(O[5a]C[5a,6a])	O[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(O[5a]C[5a,6a]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	O[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	130.9005	0.012	2	130.9005	0.000	2	130.9005	0.000	2	130.9005	0.000	2	130.9005	0.000	2	119.7620	59.118	7
727	537	813	0:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)	N[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	115.3066	1.831	5	119.7620	59.118	7
727	537	813	0:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	N[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]N[5a])	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]N[5a]){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	114.7500	0.000	1	114.7500	0.000	1	114.7500	0.000	1	114.7500	0.000	1	115.3066	1.831	5	119.7620	59.118	7
727	537	813	0:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	N[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]H)(O[5a]C[5a]){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	115.4600	0.000	1	115.4600	0.000	1	115.4600	0.000	1	115.4600	0.000	1	115.3066	1.831	5	119.7620	59.118	7
727	537	813	0:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:N[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]2)(O[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){5|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2{1|N<2>,2|C<3>,2|H<1>}	113.2920	0.000	1	113.2920	0.000	1	114.8725	4.996	2	114.8725	4.996	2	115.3066	1.831	5	119.7620	59.118	7
727	537	813	0:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:N[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2{1|C<2>,1|C<3>,1|N<2>,2|H<1>}	116.4530	0.000	1	116.4530	0.000	1	114.8725	4.996	2	114.8725	4.996	2	115.3066	1.831	5	119.7620	59.118	7
727	537	813	5:SP2_SP2_SP2	C[5a,5a]	O[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:2:	N[5a,5a]-3:O[5a]-2:N[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(O[5a]C[5a,6a])(N[5a]C[5a])	O[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]O[5a])(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(O[5a]C[5a,6a])(N[5a]C[5a]){3|C<3>}	O[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]O[5a])(N[5a]C[5a]){1|H<1>,3|C<3>}	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	111.5850	0.286	3	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a,5a]	O[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:3:	N[5a,5a]-3:C[5,5a]-3:O[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a])	O[5a](C[5a,5a]N[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a]){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	O[5a](C[5a,5a]N[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	111.5710	0.000	1	111.8490	0.155	2	111.8490	0.155	2	111.8490	0.155	2	111.5850	0.286	3	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a,5a]	O[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:3:	N[5a,5a]-3:C[5,5a]-3:O[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a])	O[5a](C[5a,5a]N[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O[5a](C[5a,5a]N[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	112.1270	0.000	1	111.8490	0.155	2	111.8490	0.155	2	111.8490	0.155	2	111.5850	0.286	3	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a,6]	O[5a]	N[5a,6]	3:2:2:	3:3:	3:3:3:	N[5a,6]-3:O[5a]-2:N[6]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(N[6]C[6])	O[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]O[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(N[6]C[6]){1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	N[5a,6](C[5a,6]O[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]C){1|H<1>,2|C<3>}	109.7400	0.000	1	109.7400	0.000	1	109.7400	0.000	1	109.7400	0.000	1	110.0067	0.076	3	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a,6]	O[5a]	N[5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	O[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<2>,1|H<1>,2|C<3>}	109.9900	0.000	1	109.9900	0.000	1	110.1400	0.045	2	110.1400	0.045	2	110.0067	0.076	3	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a,6]	O[5a]	N[5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	O[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	110.2900	0.000	1	110.2900	0.000	1	110.1400	0.045	2	110.1400	0.045	2	110.0067	0.076	3	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a,6a]	O[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){2|H<1>,4|C<3>}	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	109.2900	0.996	3	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a,6a]	O[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){1|O<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O){2|H<1>,4|C<3>}	108.7340	0.369	2	108.7340	0.136	2	108.7340	0.136	2	108.7340	0.136	2	109.2900	0.996	3	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5,5a]	3:2:1:	4:3:	3:3:3:	N[5,5a]-3:O[5a]-2:O-1:	B[5a]-4:C[5a]-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]N[5,5a]C[5])(O[5a]B[5a])(O)	O[5a](B[5a]N[5,5a]C[6a]2)(C[5a]N[5,5a]O)	N[5,5a](N[5,5a]B[5a]C[5])(C[5a]O[5a]O)(C[5]C[5]C)	C[5a](N[5,5a]N[5,5a]C[5])(O[5a]B[5a])(O){1|C<4>,4|C<3>}	O[5a](B[5a]N[5,5a]C[6a]2)(C[5a]N[5,5a]O){6|C<3>}	N[5,5a](N[5,5a]B[5a]C[5])(C[5a]O[5a]O)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:2:	3:3:1:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]O)(H)	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O){1|C<3>}	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]O)(H){1|C<3>,1|N<2>}	106.1973	0.190	3	106.1973	0.036	3	106.2045	0.359	8	106.2045	0.359	8	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:2:	3:3:1:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O){1|C<3>}	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	105.9258	0.528	4	105.9258	0.279	4	106.2045	0.359	8	106.2045	0.359	8	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:2:	3:3:1:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(C[5a]O[5a]O)(H)	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O){1|N<3>}	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(C[5a]O[5a]O)(H)	107.3410	0.000	1	107.3410	0.000	1	106.2045	0.359	8	106.2045	0.359	8	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(O[5a]N[5a])(O){3|C<3>}	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.0110	0.000	1	106.0110	0.000	1	106.0110	0.000	1	106.0110	0.000	1	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:2:1:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(O[5a]C[5a])(O)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(O[5a]C[5a])(O){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|H<1>,2|C<3>}	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(H){1|C<3>}	105.8270	0.000	1	105.8270	0.000	1	105.8270	0.000	1	105.8270	0.000	1	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CCHH)	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|C<4>,2|C<3>}	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CCHH){1|C<3>}	104.5000	0.000	1	104.5000	0.000	1	104.8407	0.087	3	104.8407	0.087	3	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CH3)	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|C<4>,2|C<3>}	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CH3){1|C<3>}	105.0110	0.020	2	105.0110	0.000	2	104.8407	0.087	3	104.8407	0.087	3	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){1|H<1>,2|C<3>}	108.1140	0.000	1	108.0237	0.204	9	108.0237	0.204	9	107.8385	0.368	11	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){1|H<1>,2|C<3>}	108.1218	0.511	6	108.0237	0.204	9	108.0237	0.204	9	107.8385	0.368	11	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){3|C<3>}	107.6840	0.163	2	108.0237	0.204	9	108.0237	0.204	9	107.8385	0.368	11	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(H)	C[5a](N[5a]C[5a]H)(O[5a]C[5a])(O){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(H){1|C<4>,2|C<3>}	107.0055	0.596	2	107.0055	0.355	2	107.0055	0.355	2	107.8385	0.368	11	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){3|C<3>}	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.4945	0.230	2	104.4945	0.053	2	104.4292	0.077	5	104.4292	0.077	5	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){1|C<4>,2|C<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	104.6740	0.000	1	104.3857	0.121	3	104.4292	0.077	5	104.4292	0.077	5	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){1|C<4>,2|C<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	104.2415	0.342	2	104.3857	0.121	3	104.4292	0.077	5	104.4292	0.077	5	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[3]O)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[3]O){1|H<1>,2|C<3>}	107.6950	0.042	4	107.6950	0.002	4	107.8939	0.313	15	107.7788	0.354	18	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[4]O)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[4]O){1|H<1>,2|C<3>}	107.7532	0.634	8	107.7532	0.402	8	107.8939	0.313	15	107.7788	0.354	18	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CNO)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CNO){1|H<1>,2|C<3>}	108.5343	0.065	3	108.5343	0.004	3	107.8939	0.313	15	107.7788	0.354	18	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	106.7900	0.000	1	106.7900	0.000	1	107.2030	0.227	3	107.7788	0.354	18	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a]C[5a]Br)(C[5a]O[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O){1|Br<1>,3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O){1|Br<1>,3|C<3>}	N[5a](C[5a]C[5a]Br)(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	107.4095	0.446	2	107.4095	0.199	2	107.2030	0.227	3	107.7788	0.354	18	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	108.1900	0.000	1	108.2495	0.007	2	108.1804	0.312	22	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){3|C<3>}	108.3090	0.000	1	108.2495	0.007	2	108.1804	0.312	22	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC3)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC3){1|C<4>,2|C<3>}	108.3270	0.000	1	108.3270	0.000	1	108.1804	0.312	22	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	108.3375	0.579	4	108.3375	0.335	4	108.1804	0.312	22	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH){1|H<1>,2|C<3>}	108.4880	0.744	2	108.4880	0.553	2	108.1804	0.312	22	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]CH)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]CH){1|H<1>,2|C<3>}	108.6400	1.356	2	108.6400	1.839	2	108.1804	0.312	22	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|Br<1>,2|C<3>}	108.5070	0.000	1	108.3247	0.171	4	108.1804	0.312	22	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|C<4>,2|C<3>}	107.7840	0.000	1	108.3247	0.171	4	108.1804	0.312	22	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|Cl<1>,2|C<3>}	108.2550	0.000	1	108.3247	0.171	4	108.1804	0.312	22	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	108.7530	0.000	1	108.3247	0.171	4	108.1804	0.312	22	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CH3)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CH3){1|H<1>,2|C<3>}	107.7950	0.000	1	107.7950	0.000	1	108.1804	0.312	22	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN){1|H<1>,2|C<3>}	107.8663	0.396	3	107.8663	0.157	3	108.1804	0.312	22	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CN[6]HH)	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CN[6]HH){1|H<1>,2|C<3>}	107.6143	0.205	3	107.6143	0.042	3	108.1804	0.312	22	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(SiC3)	C[5a](N[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(SiC3){1|H<1>,2|C<3>}	109.3430	0.000	1	109.3430	0.000	1	109.6013	0.050	3	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(SiN[5a]CC)	C[5a](N[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(SiN[5a]CC){1|H<1>,2|C<3>}	109.7305	0.009	2	109.7305	0.000	2	109.6013	0.050	3	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(O[5a]C[5a])(O){2|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(CC[6a]HH){1|C<3>}	106.9120	0.000	1	106.9120	0.000	1	106.6785	0.109	2	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(O[5a]C[5a])(O){2|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){3|C<3>}	106.4450	0.000	1	106.4450	0.000	1	106.6785	0.109	2	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a]C[6])(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]N)(C[5a]O[5a]O)(C[6]C[6]2H)	C[5a](N[5a]C[5a]C[6])(O[5a]C[5a])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[5a]O[5a]O)(C[6]C[6]2H){1|C<3>,2|C<4>,4|H<1>}	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	108.2472	0.651	28	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:Si-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[6a]2N[5a])(C[5a]O[5a]O)	C[5a](N[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[6a]2N[5a])(C[5a]O[5a]O){1|H<1>,2|C<3>}	109.4935	0.436	2	109.4935	0.190	2	109.4008	0.171	5	109.4008	0.171	5	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:Si-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[6a]N[5a]2)(C[5a]O[5a]O)	C[5a](N[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[6a]N[5a]2)(C[5a]O[5a]O){1|H<1>,2|C<3>}	109.3390	0.483	3	109.3390	0.233	3	109.4008	0.171	5	109.4008	0.171	5	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	5:3:3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	Si[5,6]-5:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]Si[5,6])(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](Si[5,6]N[5,6]C[6a]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	C[5a](N[5a]C[5a,6a]Si[5,6])(O[5a]C[5a,6a])(O){1|N<3>,2|O<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<5>,1|H<1>,2|C<3>}	N[5a](Si[5,6]N[5,6]C[6a]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){1|H<1>,8|C<3>}	109.7110	0.130	2	109.7110	0.017	2	109.7110	0.017	2	109.7110	0.017	2	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP2	C[5a]	O[5a]	N[5a]	3:2:1:	3:3:	6:3:3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	Si[5,6]-6:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]Si[5,6])(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	C[5a](N[5a]C[5a,6a]Si[5,6])(O[5a]C[5a,6a])(O){2|N<3>,2|O<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<6>,1|H<1>,2|C<3>}	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){10|C<3>,1|H<1>}	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	107.6124	2.069	83	107.8774	2.599	93
727	537	813	5:SP2_SP2_SP3	C[5a]	O[5a]	N[5,5a]	3:2:1:	3:3:	3:3:3:	N[5,5a]-3:O[5a]-2:O-1:	B[5a,6]-3:C[5a]-3:	N[5,5a,6]-3:B[5]-3:C[5a]-3:	C[5a](N[5,5a]N[5,5a,6]B[5])(O[5a]B[5a,6])(O)	O[5a](B[5a,6]N[5,5a,6]C[6,6a])(C[5a]N[5,5a]O)	N[5,5a](N[5,5a,6]C[5,6,6]B[5a,6])(B[5]C[5,6]C[6a])(C[5a]O[5a]O)	C[5a](N[5,5a]N[5,5a,6]B[5])(O[5a]B[5a,6])(O){2|C<3>,2|C<4>}	O[5a](B[5a,6]N[5,5a,6]C[6,6a])(C[5a]N[5,5a]O){1|B<3>,1|C<4>,2|C<3>}	N[5,5a](N[5,5a,6]C[5,6,6]B[5a,6])(B[5]C[5,6]C[6a])(C[5a]O[5a]O){1|C<4>,1|H<1>,5|C<3>}	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	2:2:3:	3:3:	3:2:2:	N[5a]-2:O[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5]-2:N[5]-2:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]N[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5](C[5a]N[5a]O[5a])(N[5]S[5])2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|S<2>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|H<1>,2|C<3>,2|N<2>}	C[5](C[5a]N[5a]O[5a])(N[5]S[5])2{2|C<3>}	116.5000	1.464	4	116.5000	2.143	4	116.5000	2.143	4	116.5000	2.143	4	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:2:	3:2:	3:3:2:	C[5]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]N[5a]C[5])(N[5a]C[5a])	C[5](C[5a]N[5a]O[5a])(C[5]N[5]C)(N[5]O[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(O[5a]N[5a]){1|N<3>,1|O<2>,2|C<2>}	O[5a](C[5a]N[5a]C[5])(N[5a]C[5a]){1|C<2>,1|C<3>,1|N<2>}	C[5](C[5a]N[5a]O[5a])(C[5]N[5]C)(N[5]O[5]){1|C<3>,1|N<2>,1|O<1>}	118.5480	0.000	1	118.5480	0.000	1	118.5480	0.000	1	118.5480	0.000	1	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:2:2:	C[5a,6a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2)	O[5a](C[5a]C[5a,6a]C[5])2	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5,6])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2){1|H<1>,5|C<3>}	O[5a](C[5a]C[5a,6a]C[5])2{2|C<3>,4|S<2>}	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5,6])2{2|S<2>,3|C<3>}	118.2460	0.000	1	118.2460	0.000	1	119.1284	1.402	10	118.0147	2.548	18	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:2:2:	C[5a,6a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2)	O[5a](C[5a]C[5a,6a]C[5])2	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2){1|H<1>,5|C<3>}	O[5a](C[5a]C[5a,6a]C[5])2{2|C<3>,4|S<2>}	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5])2{2|S<2>,3|C<3>}	118.1540	0.000	1	118.1540	0.000	1	119.1284	1.402	10	118.0147	2.548	18	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:2:2:	C[5a,6a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(C[5]S[5]2)	O[5a](C[5a]C[5a,6a]C[5])2	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5])2	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(C[5]S[5]2){1|N<2>,4|C<3>}	O[5a](C[5a]C[5a,6a]C[5])2{2|N<2>,4|S<2>}	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5])2{1|N<2>,2|C<3>,2|H<1>}	119.3605	1.222	8	119.3605	1.494	8	119.1284	1.402	10	118.0147	2.548	18	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:2:2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5]-2:N[5]-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5](C[5a]C[5a]O[5a])(N[5]Se[5])2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){2|Se<2>,1|C<2>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){2|H<1>,2|N<2>}	C[5](C[5a]C[5a]O[5a])(N[5]Se[5])2{1|H<1>,2|C<3>}	116.6226	0.633	8	116.6226	0.400	8	116.6226	0.400	8	118.0147	2.548	18	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]N[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5](C[5a]C[5a]O[5a])(N[5]C[5]H)(N[5]N[5])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]N[5]2){1|H<1>,1|N<3>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5]H)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	115.8260	0.000	1	115.8260	0.000	1	115.8260	0.000	1	114.6015	0.455	6	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5]C)(N[5]N[5])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	114.3440	0.337	2	114.3440	0.113	2	114.3566	0.119	5	114.6015	0.455	6	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(N[5]N[5])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|N<3>,2|C<3>,2|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|H<1>,4|C<3>}	114.3650	0.425	3	114.3650	0.180	3	114.3566	0.119	5	114.6015	0.455	6	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2){1|H<1>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){2|H<1>,4|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	117.8230	0.000	1	117.8230	0.000	1	117.8230	0.000	1	116.4821	1.093	7	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Co<4>,1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){2|H<1>,2|N<3>}	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>}	116.5565	0.218	2	116.5565	0.048	2	116.2587	0.892	6	116.4821	1.093	7	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Cu<4>,1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){2|H<1>,2|N<3>}	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>}	115.4540	0.000	1	115.4540	0.000	1	116.2587	0.892	6	116.4821	1.093	7	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cd)(N[5]C[5,6a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Cd<4>,1|C<4>,2|C<3>,2|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	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>}	116.3470	0.000	1	116.3470	0.000	1	116.2587	0.892	6	116.4821	1.093	7	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Cu<4>,2|C<3>,3|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	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>}	117.6550	0.000	1	117.6550	0.000	1	116.2587	0.892	6	116.4821	1.093	7	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){2|C<3>,4|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]H)2{1|H<1>,4|C<3>}	114.9830	0.000	1	114.9830	0.000	1	116.2587	0.892	6	116.4821	1.093	7	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:4:2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]N[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]C[5])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]C[5]){1|C<2>,3|C<3>,3|H<1>}	117.9560	0.000	1	117.9560	0.000	1	117.9560	0.000	1	117.9560	0.000	1	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:2:3:	3:3:	3:4:3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]C[5]2)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,3|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	117.7650	3.035	4	117.7650	9.212	4	117.7650	9.212	4	117.7650	9.212	4	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:3:2:	3:3:	3:2:2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5]-2:O[5]-2:	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5])(O[5]C[5])	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5])(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	117.2820	0.000	1	117.2820	0.000	1	116.6145	0.891	2	116.6424	5.164	5	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:3:2:	3:3:	3:2:2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5]-2:O[5]-2:	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5a]C[5a]O[5a])(N[5]N[5])(O[5]C[5])	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	115.9470	0.000	1	115.9470	0.000	1	116.6145	0.891	2	116.6424	5.164	5	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:3:2:	3:3:	3:2:2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:Se[5]-2:N[5]-2:	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]N[5])	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|Se<2>,1|N<2>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]N[5]){1|H<1>,3|C<3>}	118.4505	0.742	2	118.4505	0.550	2	118.4505	0.550	2	116.6424	5.164	5	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:Se[5]-2:N[5]-2:	C[5a](C[5a]C[5a,6a]H)(C[5]Se[5]N[5])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]C[5])	C[5a](C[5a]C[5a,6a]H)(C[5]Se[5]N[5])(O[5a]C[5a,6a]){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|Se<2>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]C[5]){2|H<1>,3|C<3>}	113.0820	0.000	1	113.0820	0.000	1	113.0820	0.000	1	116.6424	5.164	5	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:3:2:	3:3:	3:2:3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5]-2:C[5]-3:	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(C[5]C[5]C)	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	118.4055	1.107	2	118.4055	1.225	2	118.4055	1.225	2	118.4055	1.225	2	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:3:2:	3:3:	3:3:2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:Se[5]-2:	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(Se[5]C[5])	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|Se<2>,1|C<3>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(Se[5]C[5]){1|Se<2>,2|C<3>,2|H<1>}	116.6305	0.016	2	116.6305	0.000	2	116.6305	0.000	2	115.4573	4.129	3	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:3:2:	3:3:	3:3:2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	N[5,6]-3:C[5a]-3:O[5]-2:	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]O[5a])(O[5]B[5])	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|B<4>,2|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|H<1>}	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]O[5a])(O[5]B[5]){1|H<1>,1|N<3>,3|C<3>,4|F<1>}	113.1110	0.000	1	113.1110	0.000	1	113.1110	0.000	1	115.4573	4.129	3	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:3:2:	3:3:	3:3:3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	120.7530	0.000	1	120.7530	0.000	1	121.8630	2.464	2	118.1825	18.891	4	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:3:2:	3:3:	3:3:3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]H)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){3|C<3>,3|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	122.9730	0.000	1	122.9730	0.000	1	121.8630	2.464	2	118.1825	18.891	4	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:3:2:	3:3:	3:3:3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]N)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,4|C<3>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]N){1|N<2>,2|H<1>,4|C<3>}	114.3910	0.000	1	114.3910	0.000	1	114.3910	0.000	1	118.1825	18.891	4	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:3:2:	3:3:	3:3:3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5a]C[5a]O[5a])(C[5]N[5]C)(N[5]C[5]O)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(C[5]N[5]C)(N[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	114.6130	0.000	1	114.6130	0.000	1	114.6130	0.000	1	118.1825	18.891	4	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:3:2:	3:3:	3:4:2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	117.8210	1.495	2	117.8210	2.234	2	117.8210	2.234	2	117.8210	2.234	2	116.4725	8.972	62	116.4725	8.972	62
727	537	818	0:SP2_SP2_SP2	C[5a]	O[5a]	C[5]	3:3:2:	3:3:	4:3:3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5]-4:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]O[5a])(C[5]C[5]C)	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,5|C<4>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]O[5a])(C[5]C[5]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	109.1430	0.310	5	109.1430	0.096	5	109.1430	0.096	5	109.1430	0.096	5	116.4725	8.972	62	116.4725	8.972	62
727	537	856	0:SP2_SP2_SP2	C[5a,6]	O[5a]	N[6]	3:3:2:	3:2:	3:3:1:	C[5a,6]-3:N[6]-3:O[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(O[5a]N[5a]){2|C<4>,3|C<3>}	O[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	120.6535	0.083	2	120.6535	0.007	2	120.6535	0.007	2	120.1853	0.661	3	121.0850	3.678	4	121.0850	3.678	4
727	537	856	0:SP2_SP2_SP2	C[5a,6]	O[5a]	N[6]	3:3:2:	3:2:	3:3:1:	C[5a,6]-3:N[6]-3:O[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:H-1:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6a]H)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]N[6a])(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6a]H)(O[5a]N[5a]){1|N<3>,4|C<3>}	O[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	119.2490	0.000	1	119.2490	0.000	1	119.2490	0.000	1	120.1853	0.661	3	121.0850	3.678	4	121.0850	3.678	4
727	537	856	0:SP2_SP2_SP2	C[5a,6]	O[5a]	N[6]	3:3:2:	4:3:	3:4:3:	C[5a,6]-3:N[6]-3:O[5a]-2:	B[5a]-4:C[5a,6]-3:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[5a,6](C[5a,6]O[5a]C[6])(N[6]B[5a]C[6])(O[5a]B[5a])	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]N[6])	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H)	C[5a,6](C[5a,6]O[5a]C[6])(N[6]B[5a]C[6])(O[5a]B[5a]){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]N[6]){1|B<4>,6|C<3>}	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	123.7840	0.000	1	123.7840	0.000	1	123.7840	0.000	1	123.7840	0.000	1	121.0850	3.678	4	121.0850	3.678	4
727	537	856	0:SP2_SP2_SP3	C[5a]	O[5a]	N[6]	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:N[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:C[6]-4:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(N[6]C[6]2)	O[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)	N[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(N[6]C[6]2){1|C<3>,2|C<4>,4|H<1>}	O[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C){3|C<4>}	N[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	117.0580	0.000	1	117.0580	0.000	1	117.0580	0.000	1	117.0580	0.000	1	117.0580	0.000	1	117.0580	0.000	1
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	2:2:1:	3:2:	3:	N[5a]-2:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]N[5a])	O(C[5a]N[5a]O[5a])	C[5a](N[5a]N[5a])(O[5a]N[5a])(O){1|C<3>}	O[5a](C[5a]N[5a]O)(N[5a]N[5a]){1|C<3>}	O(C[5a]N[5a]O[5a])	120.5097	0.453	3	120.5097	0.205	3	120.5097	0.205	3	120.5097	0.205	3	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	2:2:1:	3:3:	3:	O[5a]-2:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](O[5a]C[5a,6a])2(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	O(C[5a]O[5a]2)	C[5a](O[5a]C[5a,6a])2(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){1|H<1>,2|C<3>}	O(C[5a]O[5a]2)	124.9790	0.000	1	124.9790	0.000	1	124.9790	0.000	1	122.3285	1.675	8	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	2:2:1:	3:3:	3:	O[5a]-2:S[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](O[5a]C[5a,6a])(S[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)	O(C[5a]O[5a]S[5a])	C[5a](O[5a]C[5a,6a])(S[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O){1|H<1>,2|C<3>}	O(C[5a]O[5a]S[5a])	121.3660	0.949	3	121.3660	0.901	3	121.3660	0.901	3	122.3285	1.675	8	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	2:2:1:	3:3:	3:	O[5a]-2:S[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](O[5a]C[5a])(S[5a]N[5a])(O)	O[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)	O(C[5a]O[5a]S[5a])	C[5a](O[5a]C[5a])(S[5a]N[5a])(O){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O){1|C<3>,1|S<2>}	O(C[5a]O[5a]S[5a])	122.2305	0.040	2	122.3477	0.042	3	122.3877	0.034	4	122.3285	1.675	8	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	2:2:1:	3:3:	3:	O[5a]-2:S[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](O[5a]C[5a])(S[5a]N[5a])(O)	O[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)	O(C[5a]O[5a]S[5a])	C[5a](O[5a]C[5a])(S[5a]N[5a])(O){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O){2|C<3>}	O(C[5a]O[5a]S[5a])	122.5820	0.000	1	122.3477	0.042	3	122.3877	0.034	4	122.3285	1.675	8	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	2:2:1:	3:3:	3:	O[5a]-2:S[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](O[5a]C[5a])(S[5a]N[5a])(O)	O[5a](C[5a]N[5a]C)(C[5a]S[5a]O)	O(C[5a]O[5a]S[5a])	C[5a](O[5a]C[5a])(S[5a]N[5a])(O){1|C<3>}	O[5a](C[5a]N[5a]C)(C[5a]S[5a]O)	O(C[5a]O[5a]S[5a])	122.5080	0.000	1	122.5080	0.000	1	122.3877	0.034	4	122.3285	1.675	8	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5,5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5,5a]N[5,5a]C[5])(O[5a]N[5a])(O)	O[5a](C[5a]C[5,5a]O)(N[5a]N[5,5a])	O(C[5a]C[5,5a]O[5a])	C[5a](C[5,5a]N[5,5a]C[5])(O[5a]N[5a])(O){1|C<4>,1|O<2>,2|C<3>}	O[5a](C[5a]C[5,5a]O)(N[5a]N[5,5a]){1|C<3>,1|C<4>}	O(C[5a]C[5,5a]O[5a])	119.3185	0.425	2	119.3185	0.181	2	119.3185	0.181	2	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5a,6a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])	O(C[5a]C[5a,6a]O[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(O[5a]N[5a])(O){1|C<3>,1|N<2>,1|N<3>}	O[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a]){2|C<3>}	O(C[5a]C[5a,6a]O[5a])	122.0660	0.000	1	122.0660	0.000	1	122.0660	0.000	1	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]N[5a])(O[5a]N[5a])(O){1|N<2>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	O(C[5a]C[5a]O[5a])	120.5490	0.000	1	120.5570	0.000	2	120.0018	0.283	49	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]N[5a])(O[5a]N[5a])(O){3|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	O(C[5a]C[5a]O[5a])	120.5650	0.000	1	120.5570	0.000	2	120.0018	0.283	49	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O){1|N<2>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	O(C[5a]C[5a]O[5a])	120.6110	0.000	1	120.0970	0.222	3	120.0018	0.283	49	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O){3|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	O(C[5a]C[5a]O[5a])	119.8400	0.221	2	120.0970	0.222	3	120.0018	0.283	49	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	O(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|C<4>}	O(C[5a]C[5a]O[5a])	120.5490	0.126	2	119.9506	0.328	22	120.0018	0.283	49	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	O(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	O(C[5a]C[5a]O[5a])	119.9123	0.573	19	119.9506	0.328	22	120.0018	0.283	49	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	O(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|O<2>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|O<2>}	O(C[5a]C[5a]O[5a])	119.4820	0.000	1	119.9506	0.328	22	120.0018	0.283	49	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	O(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O){1|C<3>,1|C<4>,1|N<2>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	O(C[5a]C[5a]O[5a])	120.3269	0.349	8	120.3480	0.111	9	120.0018	0.283	49	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	O(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O){1|C<4>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	O(C[5a]C[5a]O[5a])	120.5170	0.000	1	120.3480	0.111	9	120.0018	0.283	49	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	O(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O){1|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|H<1>}	O(C[5a]C[5a]O[5a])	119.8257	0.496	10	119.8257	0.246	10	120.0018	0.283	49	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]N[5a]Pd)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	O(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]Pd)(O[5a]N[5a])(O){1|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|Pd<4>,1|C<3>}	O(C[5a]C[5a]O[5a])	119.6790	0.000	1	119.6790	0.000	1	120.0018	0.283	49	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]N[5a]Si)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	O(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]Si)(O[5a]N[5a])(O){1|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|Si<4>,1|C<3>}	O(C[5a]C[5a]O[5a])	119.3510	0.359	2	119.3510	0.129	2	120.0018	0.283	49	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a]C[6a])(O[5a]N[5a])(O){3|C<3>}	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){2|C<3>}	O(C[5a]N[5a]O[5a])	124.3660	0.000	1	124.3660	0.000	1	122.8803	1.186	10	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O){1|C<3>}	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){1|C<3>,1|H<1>}	O(C[5a]N[5a]O[5a])	123.0041	0.649	7	122.9964	0.362	8	122.8803	1.186	10	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O){1|N<3>}	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){1|H<1>,1|N<3>}	O(C[5a]N[5a]O[5a])	122.9420	0.000	1	122.9964	0.362	8	122.8803	1.186	10	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:2:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]Zn)(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a]Zn)(O[5a]N[5a])(O){1|C<3>}	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){1|Zn<5>,1|C<3>}	O(C[5a]N[5a]O[5a])	120.4660	0.000	1	120.4660	0.000	1	122.8803	1.186	10	120.4773	1.615	62	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a,6a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(O)	O[5a](C[5a]C[5a,6a]O)2	O(C[5a]C[5a,6a]O[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(O){1|H<1>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a,6a]O)2{2|C<3>}	O(C[5a]C[5a,6a]O[5a])	121.3216	0.497	12	121.3216	0.247	12	121.3216	0.247	12	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a,6a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)	O(C[5a]C[5a,6a]O[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(O){1|H<1>,1|N<2>,2|C<3>}	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	O(C[5a]C[5a,6a]O[5a])	119.2890	0.000	1	119.2890	0.000	1	119.3705	0.013	2	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a,6a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]S)	O(C[5a]C[5a,6a]O[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(O){1|H<1>,1|S<4>,2|C<3>}	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]S){2|C<3>}	O(C[5a]C[5a,6a]O[5a])	119.4520	0.000	1	119.4520	0.000	1	119.3705	0.013	2	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,5a]C)(O[5a]C[5a,5a])(O)	O[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,5a]C)(O[5a]C[5a,5a])(O){1|N<2>,1|S<2>}	O[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]O){1|C<3>,2|S<2>}	O(C[5a]C[5a]O[5a])	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O){1|N<3>,3|C<3>}	O(C[5a]C[5a]O[5a])	118.1715	0.835	2	118.1715	0.697	2	118.5807	3.065	6	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){1|C<3>,1|N<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O){1|C<4>,1|N<3>,2|C<3>}	O(C[5a]C[5a]O[5a])	117.6115	0.262	2	117.6115	0.069	2	118.5807	3.065	6	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(O){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O){1|H<1>,3|C<3>}	O(C[5a]C[5a]O[5a])	117.8920	0.000	1	117.8920	0.000	1	118.5807	3.065	6	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O){1|H<1>,1|O<2>,2|C<3>}	O(C[5a]C[5a]O[5a])	122.0260	0.000	1	122.0260	0.000	1	118.5807	3.065	6	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]O)(C[5a]N[5a]C)	O(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(O){1|Pt<4>,1|C<3>}	O[5a](C[5a]C[5a]O)(C[5a]N[5a]C){1|Pt<4>,1|C<3>}	O(C[5a]C[5a]O[5a])	120.1470	0.000	1	120.1470	0.000	1	121.0443	0.667	3	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(O)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(O){1|Pd<4>,1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O){1|Pd<4>,3|C<3>}	O(C[5a]C[5a]O[5a])	121.4930	0.355	2	121.4930	0.126	2	121.0443	0.667	3	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>}	O(C[5a]C[5a]O[5a])	119.2790	0.000	1	118.9010	0.286	2	118.6964	0.130	5	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O){2|C<4>}	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){2|C<4>}	O(C[5a]C[5a]O[5a])	118.5230	0.000	1	118.9010	0.286	2	118.6964	0.130	5	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>}	O(C[5a]C[5a]O[5a])	118.7950	0.000	1	118.7950	0.000	1	118.6964	0.130	5	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(O){1|C<4>,3|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){2|C<3>}	O(C[5a]C[5a]O[5a])	118.5240	0.000	1	118.5240	0.000	1	118.6964	0.130	5	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(O){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	O(C[5a]C[5a]O[5a])	118.3610	0.000	1	118.3610	0.000	1	118.6964	0.130	5	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:O-1:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]N[5a,6a])(O)	O[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]N[5a,6a])(O){2|C<3>}	O[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O){1|C<4>,1|H<1>,2|C<3>}	O(C[5a]C[5a]O[5a])	116.5470	0.000	1	116.5470	0.000	1	116.5470	0.000	1	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:O-1:	N[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(O)	O[5a](N[5a]C[5a]C[6])(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(O){1|C<4>,1|H<1>}	O[5a](N[5a]C[5a]C[6])(C[5a]C[5a]O){1|C<4>,1|O<2>,3|H<1>}	O(C[5a]C[5a]O[5a])	117.9610	0.058	2	117.9610	0.003	2	117.9610	0.003	2	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5,5a]-3:O[5a]-2:O-1:	B[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]N[5,5a,6]B[5])(O[5a]B[5a,6])(O)	O[5a](B[5a,6]N[5,5a,6]C[6,6a])(C[5a]N[5,5a]O)	O(C[5a]N[5,5a]O[5a])	C[5a](N[5,5a]N[5,5a,6]B[5])(O[5a]B[5a,6])(O){2|C<3>,2|C<4>}	O[5a](B[5a,6]N[5,5a,6]C[6,6a])(C[5a]N[5,5a]O){1|B<3>,1|C<4>,2|C<3>}	O(C[5a]N[5,5a]O[5a])	124.1780	0.000	1	124.1780	0.000	1	124.1780	0.000	1	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O){1|C<4>,3|C<3>}	O(C[5a]N[5a]O[5a])	122.5805	0.701	2	122.5805	0.491	2	122.0460	0.924	58	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	O(C[5a]N[5a]O[5a])	122.3079	0.755	20	122.2496	0.744	35	122.0460	0.924	58	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|H<1>,3|C<3>}	O(C[5a]N[5a]O[5a])	122.1719	1.011	15	122.2496	0.744	35	122.0460	0.924	58	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<4>,1|H<1>,2|C<3>}	O(C[5a]N[5a]O[5a])	122.0510	0.000	1	122.0281	0.181	9	122.0460	0.924	58	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){2|C<3>,2|H<1>}	O(C[5a]N[5a]O[5a])	122.0252	0.455	8	122.0281	0.181	9	122.0460	0.924	58	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]Ni)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a]Ni)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Ni<6>,1|H<1>,2|C<3>}	O(C[5a]N[5a]O[5a])	118.1470	0.000	1	118.1470	0.000	1	122.0460	0.924	58	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<4>,1|H<1>,2|C<3>}	O(C[5a]N[5a]O[5a])	122.0618	0.372	8	122.0618	0.139	8	122.0460	0.924	58	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]Si[5,6])(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a]Si[5,6])(O[5a]C[5a,6a])(O){1|N<3>,2|O<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<5>,1|H<1>,2|C<3>}	O(C[5a]N[5a]O[5a])	121.0665	0.226	2	120.6260	0.608	3	122.0460	0.924	58	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]Si[5,6])(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a]Si[5,6])(O[5a]C[5a,6a])(O){2|N<3>,2|O<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<6>,1|H<1>,2|C<3>}	O(C[5a]N[5a]O[5a])	119.7450	0.000	1	120.6260	0.608	3	122.0460	0.924	58	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a]C)(O[5a]C[5a])(O){2|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O){1|C<4>,3|C<3>}	O(C[5a]N[5a]O[5a])	123.2650	0.298	2	123.2650	0.089	2	123.6024	1.313	17	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6])(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a]C[6])(O[5a]C[5a])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|C<4>,1|N<2>}	O(C[5a]N[5a]O[5a])	121.2820	0.000	1	121.2820	0.000	1	123.6024	1.313	17	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	O(C[5a]N[5a]O[5a])	123.0010	0.000	1	123.0010	0.000	1	123.6024	1.313	17	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O){1|Br<1>,3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O){1|Br<1>,3|C<3>}	O(C[5a]N[5a]O[5a])	125.0660	2.544	2	125.0660	6.473	2	123.6024	1.313	17	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]H)(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a]H)(O[5a]C[5a])(O){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	O(C[5a]N[5a]O[5a])	122.7740	0.574	2	122.7740	0.330	2	123.6024	1.313	17	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){3|C<3>}	O(C[5a]N[5a]O[5a])	123.3810	0.305	2	123.3810	0.093	2	123.6024	1.313	17	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){1|C<4>,2|C<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	O(C[5a]N[5a]O[5a])	124.0840	0.432	3	124.0840	0.187	3	123.6024	1.313	17	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|C<4>,2|C<3>}	O(C[5a]N[5a]O[5a])	124.1860	0.113	3	124.1860	0.013	3	123.6024	1.313	17	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	3:3:	3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]N[5a]H)(O[5a]C[5a])(O)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	O(C[5a]N[5a]O[5a])	C[5a](N[5a]N[5a]H)(O[5a]C[5a])(O){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|H<1>,2|C<3>}	O(C[5a]N[5a]O[5a])	123.1750	0.000	1	123.1750	0.000	1	123.6024	1.313	17	121.6355	3.349	108	121.2888	3.209	182	121.2888	3.209	182
727	537	863	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:1:	4:3:	3:	N[5,5a]-3:O[5a]-2:O-1:	B[5a]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]N[5,5a]C[5])(O[5a]B[5a])(O)	O[5a](B[5a]N[5,5a]C[6a]2)(C[5a]N[5,5a]O)	O(C[5a]N[5,5a]O[5a])	C[5a](N[5,5a]N[5,5a]C[5])(O[5a]B[5a])(O){1|C<4>,4|C<3>}	O[5a](B[5a]N[5,5a]C[6a]2)(C[5a]N[5,5a]O){6|C<3>}	O(C[5a]N[5,5a]O[5a])	128.1860	0.000	1	128.1860	0.000	1	128.1860	0.000	1	128.1860	0.000	1	121.2888	3.209	182	121.2888	3.209	182
727	537	880	0:SP2_SP2_SP3	C[5a]	O[5a]	Si	3:2:4:	3:2:	3:4:4:4:	C[5a]-3:O[5a]-2:Si-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C-4:C-4:C-4:	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(SiC3)	O[5a](C[5a]C[5a]Si)(N[5a]C[5a])	Si(C[5a]C[5a]O[5a])(CH3)3	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(SiC3){3|C<3>}	O[5a](C[5a]C[5a]Si)(N[5a]C[5a]){2|C<3>}	Si(C[5a]C[5a]O[5a])(CH3)3	114.8900	0.000	1	114.8900	0.000	1	114.8900	0.000	1	114.8900	0.000	1	115.2017	8.369	7	115.2017	8.369	7
727	537	880	0:SP2_SP2_SP3	C[5a]	O[5a]	Si	3:2:4:	3:3:	3:4:4:4:	C[5a,6a]-3:O[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:C-4:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a])(SiC3)	O[5a](C[5a]C[5a,6a]Si)2	Si(C[5a]C[5a,6a]O[5a])(CC3)(CH3)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a])(SiC3){1|Si<4>,3|C<3>}	O[5a](C[5a]C[5a,6a]Si)2{2|C<3>}	Si(C[5a]C[5a,6a]O[5a])(CC3)(CH3)2	109.5470	0.000	1	109.5470	0.000	1	112.0250	12.281	2	115.2537	10.020	6	115.2017	8.369	7	115.2017	8.369	7
727	537	880	0:SP2_SP2_SP3	C[5a]	O[5a]	Si	3:2:4:	3:3:	3:4:4:4:	C[5a,6a]-3:O[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:C-4:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SiC3)	O[5a](C[5a]C[5a,6a]Si)2	Si(C[5a]C[5a,6a]O[5a])(CC3)(CH3)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SiC3){1|Si<4>,1|H<1>,2|C<3>}	O[5a](C[5a]C[5a,6a]Si)2{2|C<3>}	Si(C[5a]C[5a,6a]O[5a])(CC3)(CH3)2	114.5030	0.000	1	114.5030	0.000	1	112.0250	12.281	2	115.2537	10.020	6	115.2017	8.369	7	115.2017	8.369	7
727	537	880	0:SP2_SP2_SP3	C[5a]	O[5a]	Si	3:2:4:	3:3:	3:4:4:4:	C[5a]-3:O[5a]-2:Si-4:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C-4:C-4:C-4:	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(SiC3)	O[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	Si(C[5a]C[5a]O[5a])(CH3)3	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(SiC3){1|C<3>,1|P<4>}	O[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	Si(C[5a]C[5a]O[5a])(CH3)3	116.5235	0.144	2	116.5235	0.021	2	116.5235	0.021	2	115.2537	10.020	6	115.2017	8.369	7	115.2017	8.369	7
727	537	880	0:SP2_SP2_SP3	C[5a]	O[5a]	Si	3:2:4:	3:3:	3:4:4:4:	C[5a]-3:O[5a]-2:Si-4:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C-4:C-4:C-4:	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(SiC3)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Si)	Si(C[5a]C[5a]O[5a])(CC3)(CH3)2	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(SiC3){2|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Si){1|C<3>,2|C<4>,2|H<1>}	Si(C[5a]C[5a]O[5a])(CC3)(CH3)2	115.4730	0.000	1	115.4730	0.000	1	115.4730	0.000	1	115.2537	10.020	6	115.2017	8.369	7	115.2017	8.369	7
727	537	880	0:SP2_SP2_SP3	C[5a]	O[5a]	Si	3:2:4:	3:3:	3:4:4:4:	C[5a]-3:O[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:C-4:C-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(SiC[5]CC)	O[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	Si(C[5a]C[5a]O[5a])(C[5]C[5]2Sc)(CH3)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(SiC[5]CC){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){2|H<1>}	Si(C[5a]C[5a]O[5a])(C[5]C[5]2Sc)(CH3)2	118.9520	0.000	1	118.9520	0.000	1	118.9520	0.000	1	115.2537	10.020	6	115.2017	8.369	7	115.2017	8.369	7
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	2:2:2:	3:2:	3:3:	N[5a]-2:O[5a]-2:O-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(OC[6a])	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	O(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a])(O[5a]N[5a])(OC[6a]){1|C<3>}	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){1|C<3>}	O(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	3:2:	3:4:	C[5a]-3:O[5a]-2:O-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(OC)	O[5a](C[5a]C[5a]O)(N[5a]C[5a])	O(C[5a]C[5a]O[5a])(CH3)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(OC){1|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]C[5a]){1|C<3>,1|C<4>}	O(C[5a]C[5a]O[5a])(CH3)	118.7810	0.000	1	118.7810	0.000	1	118.7810	0.000	1	118.7810	0.000	1	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:O[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]O)	O(C[5a]C[5a,6a]O[5a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(OC){1|H<1>,1|N<2>,2|C<3>}	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]O){1|C<3>,1|N<2>}	O(C[5a]C[5a,6a]O[5a])(CH3)	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	114.9957	9.951	18	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC){2|C<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){2|C<3>}	O(C[5a]C[5a]O[5a])(CC[6a]HH)	118.5020	0.000	1	118.5020	0.000	1	115.3078	8.711	17	114.9957	9.951	18	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){1|C<3>,1|C<4>}	O(C[5a]C[5a]O[5a])(CH3)	114.0583	2.695	3	115.3580	6.807	5	115.3078	8.711	17	114.9957	9.951	18	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC){2|C<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){2|C<3>}	O(C[5a]C[5a]O[5a])(CH3)	117.3075	0.176	2	115.3580	6.807	5	115.3078	8.711	17	114.9957	9.951	18	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O){1|C<4>,3|C<3>}	O(C[5a]C[5a]O[5a])(CH3)	118.3185	0.070	2	118.3185	0.005	2	115.3078	8.711	17	114.9957	9.951	18	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){1|C<4>,1|H<1>}	O(C[5a]C[5a]O[5a])(CH3)	112.4930	0.445	2	112.1773	0.398	3	115.3078	8.711	17	114.9957	9.951	18	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){2|H<1>}	O(C[5a]C[5a]O[5a])(CH3)	111.5460	0.000	1	112.1773	0.398	3	115.3078	8.711	17	114.9957	9.951	18	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[5a]C[5a]O[5a])(CH3)	112.4070	0.000	1	112.4070	0.000	1	115.3078	8.711	17	114.9957	9.951	18	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])(CCHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O(C[5a]C[5a]O[5a])(CCHH)	112.5980	0.000	1	112.5980	0.000	1	115.3078	8.711	17	114.9957	9.951	18	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]N)(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])(CCHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC){1|C<3>,1|N<3>}	O[5a](C[5a]C[5a]N)(C[5a]C[5a]O){1|C<3>,1|H<1>}	O(C[5a]C[5a]O[5a])(CCHH)	112.0710	0.000	1	112.0710	0.000	1	115.3078	8.711	17	114.9957	9.951	18	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC)	O[5a](C[5a]N[5a]C[3])(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])(CC3)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC){1|C<4>,2|C<3>}	O[5a](C[5a]N[5a]C[3])(C[5a]C[5a]O){1|C<3>,1|H<1>,2|C<4>}	O(C[5a]C[5a]O[5a])(CC3)	117.5730	0.000	1	117.5730	0.000	1	115.3078	8.711	17	114.9957	9.951	18	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC)	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])(CH3)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC){1|C<4>,2|C<3>}	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]O){1|H<1>,1|N<3>,2|C<3>}	O(C[5a]C[5a]O[5a])(CH3)	119.2910	0.000	1	119.2910	0.000	1	115.3078	8.711	17	114.9957	9.951	18	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(OC)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)	O(C[5a]C[5a]O[5a])(CH3)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(OC){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O){3|C<3>}	O(C[5a]C[5a]O[5a])(CH3)	117.8310	0.000	1	117.8310	0.000	1	115.3078	8.711	17	114.9957	9.951	18	116.2741	23.487	22	116.2741	23.487	22
727	537	893	0:SP2_SP2_SP2	C[5a]	O[5a]	O	3:2:2:	4:3:	3:4:	C[5,5a]-3:O[5a]-2:O-2:	B[5a]-4:C[5a]-3:	C[5a]-3:B-4:	C[5a](C[5,5a]C[5,5a]N[5,5a])(O[5a]B[5a])(OB)	O[5a](B[5a]N[5,5a]C[6]2)(C[5a]C[5,5a]O)	O(C[5a]C[5,5a]O[5a])(BC[6]2O)	C[5a](C[5,5a]C[5,5a]N[5,5a])(O[5a]B[5a])(OB){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	O[5a](B[5a]N[5,5a]C[6]2)(C[5a]C[5,5a]O){1|C<3>,1|N<2>,2|H<1>,4|C<4>}	O(C[5a]C[5,5a]O[5a])(BC[6]2O)	128.0755	0.455	2	128.0755	0.207	2	128.0755	0.207	2	128.0755	0.207	2	116.2741	23.487	22	116.2741	23.487	22
727	537	901	0:SP2_SP1_SP2	C[5a]	O[5a]	N	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:N-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(N)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(N){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N(C[5a]C[5a]O[5a])	116.1347	1.885	4	116.1347	3.552	4	116.1347	3.552	4	116.1347	3.552	4	116.1347	3.552	4	116.1347	3.552	4
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:2:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N-2:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SN)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(NC)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SN){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	S(C[5a]N[5a]O[5a])(NC)	119.6410	0.000	1	119.6410	0.000	1	119.6410	0.000	1	119.6410	0.000	1	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	S(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a]){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	S(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]O[5a])	113.9770	0.000	1	113.9770	0.000	1	116.8330	6.239	3	116.2330	3.674	6	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	S(C[5a]C[5a]S[5a])(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a]){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	S(C[5a]C[5a]S[5a])(C[5a]N[5a]O[5a])	118.2610	0.492	2	118.2610	0.242	2	116.8330	6.239	3	116.2330	3.674	6	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[6a]){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	S(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	114.3350	0.000	1	114.3350	0.000	1	114.3350	0.000	1	116.2330	3.674	6	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC[6a])	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC[6a]){1|C<4>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	116.2820	1.099	2	116.2820	1.207	2	116.2820	1.207	2	116.2330	3.674	6	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:4:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(CCHH)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	S(C[5a]N[5a]O[5a])(CCHH)	114.8328	0.193	4	114.8328	0.037	4	114.7415	0.062	6	116.6136	3.977	27	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:4:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	S(C[5a]N[5a]O[5a])(CC[6a]HH)	114.3350	0.000	1	114.3350	0.000	1	114.7415	0.062	6	116.6136	3.977	27	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:4:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(CHHS)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	S(C[5a]N[5a]O[5a])(CHHS)	114.7830	0.000	1	114.7830	0.000	1	114.7415	0.062	6	116.6136	3.977	27	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:4:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(CCHH)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){1|C<3>,1|N<2>}	S(C[5a]N[5a]O[5a])(CCHH)	116.2890	0.000	1	115.8840	2.061	6	116.9872	3.429	20	116.6136	3.977	27	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:4:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(CCHH)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){2|C<3>}	S(C[5a]N[5a]O[5a])(CCHH)	115.8030	1.590	5	115.8840	2.061	6	116.9872	3.429	20	116.6136	3.977	27	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:4:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(CC[6a]HH)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){2|C<3>}	S(C[5a]N[5a]O[5a])(CC[6a]HH)	117.0344	0.889	7	117.0344	0.790	7	116.9872	3.429	20	116.6136	3.977	27	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:4:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(CCHH)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<4>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(CCHH)	116.0790	0.000	1	116.0790	0.000	1	116.9872	3.429	20	116.6136	3.977	27	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:4:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(CC[6a]HH)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<4>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(CC[6a]HH)	118.7593	3.121	4	118.7593	9.741	4	116.9872	3.429	20	116.6136	3.977	27	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:4:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(CCHH)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<3>}	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S){2|C<3>}	S(C[5a]N[5a]O[5a])(CCHH)	117.0420	0.421	2	117.0420	0.178	2	116.9872	3.429	20	116.6136	3.977	27	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	3:4:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC[6])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])(C[6]C[6]O[6]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC[6]){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){2|C<3>}	S(C[5a]N[5a]O[5a])(C[6]C[6]O[6]H)	120.3720	0.000	1	120.3720	0.000	1	120.3720	0.000	1	116.6136	3.977	27	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	2:2:2:	3:3:	4:3:	N[5a]-2:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	B[3x3]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SB[3x3])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	S(B[3x3]Nb[11x3]2B[3x3])(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SB[3x3]){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	S(B[3x3]Nb[11x3]2B[3x3])(C[5a]N[5a]O[5a])	113.8710	0.000	1	113.8710	0.000	1	113.8710	0.000	1	113.8710	0.000	1	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	3:2:2:	3:3:	3:2:	C[5a]-3:O[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(SC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	S(C[5a]C[5a]O[5a])(CN)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(SC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){2|C<3>,2|H<1>}	S(C[5a]C[5a]O[5a])(CN)	116.2870	0.000	1	116.2870	0.000	1	116.2870	0.000	1	116.2870	0.000	1	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(SC)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)	S(C[5a]C[5a]O[5a])(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(SC){2|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S){4|C<3>}	S(C[5a]C[5a]O[5a])(CH3)	118.2720	0.000	1	118.2720	0.000	1	117.9445	1.060	4	117.9445	1.060	4	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(SC)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	S(C[5a]C[5a]O[5a])(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(SC){1|H<1>,1|S<4>}	O[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<3>,1|S<4>}	S(C[5a]C[5a]O[5a])(CH3)	118.7710	0.000	1	118.7710	0.000	1	117.9445	1.060	4	117.9445	1.060	4	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(SC)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]S)	S(C[5a]C[5a]O[5a])(CH3)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(SC){2|C<3>,2|C<4>}	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]S){1|C<3>,1|H<1>,3|C<4>}	S(C[5a]C[5a]O[5a])(CH3)	116.4390	0.000	1	116.4390	0.000	1	117.9445	1.060	4	117.9445	1.060	4	116.6885	3.833	40	116.6885	3.833	40
727	537	909	0:SP2_SP2_SP2	C[5a]	O[5a]	S	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)	S(C[5a]C[5a]O[5a])(CH3)	C[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])(SC){1|O<2>,2|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S){3|C<3>}	S(C[5a]C[5a]O[5a])(CH3)	118.2960	0.000	1	118.2960	0.000	1	117.9445	1.060	4	117.9445	1.060	4	116.6885	3.833	40	116.6885	3.833	40
727	537	914	0:SP2_SP2_SP2	C[5a,6]	O[5a]	N[6]	3:2:2:	3:3:	3:3:	N[5a,6]-3:O[5a]-2:N[6]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(N[6]C[6])	O[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6a])	N[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(N[6]C[6]){1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	N[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C){1|H<1>,3|C<3>}	122.9270	0.000	1	122.9270	0.000	1	122.9270	0.000	1	122.9270	0.000	1	122.9270	0.000	1	122.9270	0.000	1
727	537	924	0:SP2_SP-NON_SP2	C[5a]	O[5a]	Br	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:Br-1:	C[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(Br)	O[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br)	Br(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(Br){1|C<3>,1|P<4>}	O[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	Br(C[5a]C[5a]O[5a])	115.0610	0.665	2	115.0610	0.442	2	115.0610	0.442	2	115.6956	0.494	21	115.6956	0.494	21	115.6956	0.494	21
727	537	924	0:SP2_SP-NON_SP2	C[5a]	O[5a]	Br	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:Br-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(Br)	O[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]Br)	Br(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(Br){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]Br){1|H<1>,3|C<3>}	Br(C[5a]C[5a]O[5a])	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	115.6956	0.494	21	115.6956	0.494	21	115.6956	0.494	21
727	537	924	0:SP2_SP-NON_SP2	C[5a]	O[5a]	Br	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]Br)	Br(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){1|C<4>,1|H<1>}	O[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]Br){1|O<2>,2|C<4>,2|H<1>}	Br(C[5a]C[5a]O[5a])	116.4500	0.000	1	116.4500	0.000	1	115.8250	0.424	18	115.6956	0.494	21	115.6956	0.494	21	115.6956	0.494	21
727	537	924	0:SP2_SP-NON_SP2	C[5a]	O[5a]	Br	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	Br(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){2|C<3>}	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|H<1>,1|O<2>,2|C<3>}	Br(C[5a]C[5a]O[5a])	116.2300	0.000	1	116.2300	0.000	1	115.8250	0.424	18	115.6956	0.494	21	115.6956	0.494	21	115.6956	0.494	21
727	537	924	0:SP2_SP-NON_SP2	C[5a]	O[5a]	Br	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]B)	Br(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){1|B<3>,1|H<1>}	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]B){2|H<1>}	Br(C[5a]C[5a]O[5a])	116.3355	0.572	2	116.3355	0.327	2	115.8250	0.424	18	115.6956	0.494	21	115.6956	0.494	21	115.6956	0.494	21
727	537	924	0:SP2_SP-NON_SP2	C[5a]	O[5a]	Br	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	Br(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	Br(C[5a]C[5a]O[5a])	114.0300	0.000	1	115.4574	0.657	5	115.8250	0.424	18	115.6956	0.494	21	115.6956	0.494	21	115.6956	0.494	21
727	537	924	0:SP2_SP-NON_SP2	C[5a]	O[5a]	Br	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	Br(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	Br(C[5a]C[5a]O[5a])	115.8143	0.165	4	115.4574	0.657	5	115.8250	0.424	18	115.6956	0.494	21	115.6956	0.494	21	115.6956	0.494	21
727	537	924	0:SP2_SP-NON_SP2	C[5a]	O[5a]	Br	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]Br)	Br(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]Br){2|C<3>,3|H<1>}	Br(C[5a]C[5a]O[5a])	116.1610	0.000	1	116.1610	0.000	1	115.8250	0.424	18	115.6956	0.494	21	115.6956	0.494	21	115.6956	0.494	21
727	537	924	0:SP2_SP-NON_SP2	C[5a]	O[5a]	Br	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br)	Br(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|C<3>,1|N<2>,2|H<1>}	Br(C[5a]C[5a]O[5a])	115.7564	0.580	8	115.7564	0.336	8	115.8250	0.424	18	115.6956	0.494	21	115.6956	0.494	21	115.6956	0.494	21
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:2:	3:2:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:O-2:C-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCO)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C(C[5a]N[5a]O[5a])(OC[6a])(CHN)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCO){1|C<3>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	C(C[5a]N[5a]O[5a])(OC[6a])(CHN)	117.6070	1.038	6	117.6070	1.078	6	117.6070	1.078	6	117.6070	1.078	6	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:2:	3:3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N-3:N-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C(C[5a]N[5a]O[5a])(NOO)2	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN){1|C<3>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	C(C[5a]N[5a]O[5a])(NOO)2	120.6280	0.000	1	118.1297	4.736	3	118.1297	4.736	3	118.1297	4.736	3	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:2:	3:3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N-3:N-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C(C[5a]N[5a]O[5a])(NOO)2	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN){1|C<4>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	C(C[5a]N[5a]O[5a])(NOO)2	116.8805	0.330	2	118.1297	4.736	3	118.1297	4.736	3	118.1297	4.736	3	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:2:	3:4:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C-4:C-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCC)	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	C(C[5a]N[5a]O[5a])(CC[6a]HO)(CHH)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCC){1|C<3>}	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	C(C[5a]N[5a]O[5a])(CC[6a]HO)(CHH)	118.4560	0.000	1	118.4560	0.000	1	118.4560	0.000	1	118.4560	0.000	1	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:2:1:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]2)(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(OC)(O)	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<3>}	C(C[5a]N[5a]O[5a])(OC)(O)	116.2230	0.000	1	116.2230	0.000	1	117.4120	2.827	2	117.4120	2.827	2	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:2:1:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(OC)(O)	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(OC)(O)	118.6010	0.000	1	118.6010	0.000	1	117.4120	2.827	2	117.4120	2.827	2	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:2:2:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-2:N-2:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCN)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(CN)(NN)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCN){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(CN)(NN)	118.8860	0.000	1	118.8860	0.000	1	118.8860	0.000	1	118.8860	0.000	1	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:Cl-1:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(CC[5a]N[5])(Cl)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(CC[5a]N[5])(Cl)	119.5760	0.000	1	119.5760	0.000	1	119.5760	0.000	1	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(CC[6a]2)(H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(CC[6a]2)(H)	121.5640	0.000	1	121.5640	0.000	1	118.0492	1.814	14	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	117.5875	0.645	12	117.5875	0.415	12	118.0492	1.814	14	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(CC[6a]O)(H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(CC[6a]O)(H)	120.0750	0.000	1	120.0750	0.000	1	118.0492	1.814	14	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(O)	113.8495	0.146	2	113.8495	0.021	2	113.8495	0.021	2	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CNO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(NCH)(O)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CNO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(NCH)(O)	118.1680	0.000	1	118.1680	0.000	1	118.1680	0.000	1	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:O-1:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[6]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(N[6]C[6]2)(O)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[6]O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(N[6]C[6]2)(O)	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCH){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>}	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	116.8870	0.000	1	116.8870	0.000	1	119.5618	5.325	5	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCH){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|N<2>,1|O<2>}	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	120.7550	0.000	1	120.7550	0.000	1	119.5618	5.325	5	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCH)	O[5a](C[5a]N[5a]C)2	C(C[5a]N[5a]O[5a])(CCH)(H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCH){1|C<4>}	O[5a](C[5a]N[5a]C)2	C(C[5a]N[5a]O[5a])(CCH)(H)	121.4675	0.169	2	121.4675	0.029	2	119.5618	5.325	5	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](N[5a]S[5a])(O[5a]C[5a])(CCH)	O[5a](C[5a]N[5a]C)(C[5a]S[5a]O)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C[5a](N[5a]S[5a])(O[5a]C[5a])(CCH){1|O<1>}	O[5a](C[5a]N[5a]C)(C[5a]S[5a]O)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	117.2320	0.000	1	117.2320	0.000	1	119.5618	5.325	5	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]O){2|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(O)	115.7700	0.000	1	115.7700	0.000	1	115.7700	0.000	1	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(NCH)(O)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C(C[5a]N[5a]O[5a])(NCH)(O)	118.7940	0.000	1	118.7940	0.000	1	118.1462	0.873	6	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C(C[5a]N[5a]O[5a])(NC[6a]H)(O)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO){1|N<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C(C[5a]N[5a]O[5a])(NC[6a]H)(O)	116.5990	0.000	1	116.5990	0.000	1	118.1462	0.873	6	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO)	O[5a](C[5a]N[5a]C)2	C(C[5a]N[5a]O[5a])(NCH)(O)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO){1|C<4>}	O[5a](C[5a]N[5a]C)2	C(C[5a]N[5a]O[5a])(NCH)(O)	118.3710	0.671	4	118.3710	0.450	4	118.1462	0.873	6	117.8528	4.314	31	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:2:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:C-2:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(CC[6a]H)(CN)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){3|C<3>}	C(C[5a]N[5a]O[5a])(CC[6a]H)(CN)	117.4910	0.000	1	117.4910	0.000	1	118.7820	3.228	3	118.9968	2.337	4	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:2:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:C-2:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(CC[5a]H)(CN)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(CC[5a]H)(CN)	120.8340	0.000	1	120.8340	0.000	1	118.7820	3.228	3	118.9968	2.337	4	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:2:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:C-2:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(CC[6a]H)(CN)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(CC[6a]H)(CN)	118.0210	0.000	1	118.0210	0.000	1	118.7820	3.228	3	118.9968	2.337	4	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:2:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]N)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NO)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]N){1|N<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NO)	119.6410	0.000	1	119.6410	0.000	1	119.6410	0.000	1	118.9968	2.337	4	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:C[6a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]C){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	118.9670	0.000	1	118.9670	0.000	1	118.9670	0.000	1	118.9790	1.332	10	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])2(CC[5a]2)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]C){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])2(CC[5a]2)	120.3310	0.281	2	120.3310	0.079	2	120.3310	0.079	2	118.9790	1.332	10	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]C){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	116.6530	0.000	1	116.6530	0.000	1	116.6530	0.000	1	118.9790	1.332	10	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5]-3:C-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[5]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(N[5]C[5]2)(CC[5a]Cl)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[5]C){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(N[5]C[5]2)(CC[5a]Cl)	118.3350	0.000	1	118.3350	0.000	1	118.3350	0.000	1	118.9790	1.332	10	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:N-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNN)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(NOO)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNN){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|N<2>,1|O<2>}	C(C[5a]N[5a]O[5a])(NOO)2	119.0250	1.088	3	119.0250	1.183	3	119.0346	0.603	5	118.9790	1.332	10	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:N-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNN)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C(C[5a]N[5a]O[5a])(NOO)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNN){1|N<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C(C[5a]N[5a]O[5a])(NOO)2	119.0490	0.211	2	119.0490	0.044	2	119.0346	0.603	5	118.9790	1.332	10	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	2:2:3:	3:3:	3:3:4:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:C-4:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCC)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(CC[5a]H)(CHHO)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCC){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>}	C(C[5a]N[5a]O[5a])(CC[5a]H)(CHHO)	119.3550	0.000	1	119.3550	0.000	1	119.3550	0.000	1	119.3550	0.000	1	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:1:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:H-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(H)(O)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHO){1|C<3>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)(O)	116.8620	0.000	1	116.8620	0.000	1	116.8620	0.000	1	116.8620	0.000	1	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:2:1:	C[5a,6]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CHN)	O[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])	C(C[5a]C[5a,6]O[5a])(NO)(H)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CHN){2|C<4>,2|H<1>}	O[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]){2|C<4>}	C(C[5a]C[5a,6]O[5a])(NO)(H)	117.3030	0.000	1	117.3030	0.000	1	117.3030	0.000	1	116.9922	2.795	10	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(COO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(COO){1|C<3>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C(C[5a]C[5a]O[5a])(OC)(O)	118.5410	0.000	1	116.8840	5.491	2	116.9577	3.131	9	116.9922	2.795	10	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(COO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(COO){1|H<1>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(OC)(O)	115.2270	0.000	1	116.8840	5.491	2	116.9577	3.131	9	116.9922	2.795	10	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(COO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(COO){1|C<3>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(OC)(O)	117.1212	1.707	5	117.3617	2.677	6	116.9577	3.131	9	116.9922	2.795	10	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(COO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(COO){1|C<4>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(OC)(O)	118.5640	0.000	1	117.3617	2.677	6	116.9577	3.131	9	116.9922	2.795	10	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(COO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(OH)(O)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(COO){1|C<4>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(OH)(O)	114.6810	0.000	1	114.6810	0.000	1	116.9577	3.131	9	116.9922	2.795	10	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CCH)	O[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(C[5a]C[5a,6a]O[5a])(CC[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CCH){1|H<1>,2|C<3>}	O[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(C[5a]C[5a,6a]O[5a])(CC[6a]2)(H)	113.0520	0.000	1	113.0520	0.000	1	113.0520	0.000	1	116.8933	10.646	15	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CC[6a]O)	O[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CC[6a]O){1|H<1>,2|C<3>}	O[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(O)	122.8090	0.000	1	122.8090	0.000	1	122.8090	0.000	1	116.8933	10.646	15	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(CHN)(H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCH){1|C<3>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C(C[5a]C[5a]O[5a])(CHN)(H)	118.1780	0.540	2	118.1780	0.292	2	118.2885	0.642	4	116.8933	10.646	15	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(CC[5]H)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCH){1|C<3>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CC[5]H)(H)	117.5090	0.000	1	117.5090	0.000	1	118.2885	0.642	4	116.8933	10.646	15	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(CSeC)(H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCH){1|C<3>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CSeC)(H)	119.2890	0.000	1	119.2890	0.000	1	118.2885	0.642	4	116.8933	10.646	15	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[6a]O)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[6a]O){1|H<1>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	117.6840	0.000	1	117.6840	0.000	1	117.6840	0.000	1	116.8933	10.646	15	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CNO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(NCH)(O)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CNO){1|C<4>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(NCH)(O)	113.6260	0.000	1	113.6260	0.000	1	116.1329	12.526	7	116.8933	10.646	15	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CNO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(NCC)(O)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CNO){1|C<3>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(NCC)(O)	121.4220	0.000	1	121.4220	0.000	1	116.1329	12.526	7	116.8933	10.646	15	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CNO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(NCH)(O)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CNO){1|C<3>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(NCH)(O)	115.2270	0.000	1	115.2270	0.000	1	116.1329	12.526	7	116.8933	10.646	15	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CNO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(NHH)(O)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CNO){1|C<3>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(NHH)(O)	117.4333	0.899	3	117.4333	0.809	3	116.1329	12.526	7	116.8933	10.646	15	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]P)(O[5a]N[5a])(CNO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	C[5a](C[5a]C[5a]P)(O[5a]N[5a])(CNO){1|C<4>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	110.3550	0.000	1	110.3550	0.000	1	116.1329	12.526	7	116.8933	10.646	15	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:O-1:	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CN[6]O)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(O)	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CN[6]O){3|C<3>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(O)	113.7710	0.000	1	113.7710	0.000	1	113.7710	0.000	1	116.8933	10.646	15	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:3:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C-3:O-2:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(CC[6a]H)(OH)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCO){1|C<3>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]H)(OH)	115.9970	0.000	1	115.9970	0.000	1	115.9970	0.000	1	115.9970	0.000	1	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C-3:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CC[6a]C)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CC[6a]C){1|C<3>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	118.2780	0.000	1	118.2780	0.000	1	118.2780	0.000	1	118.2780	0.000	1	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:4:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C-4:N-2:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCN)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(CH3)(NN)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCN){1|C<4>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(CH3)(NN)	115.5930	0.000	1	115.5930	0.000	1	115.0030	0.696	2	115.5490	1.242	3	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:4:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C-4:N-2:	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CCN)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(CH3)(NN)	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CCN){1|C<2>,2|C<3>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|C<3>}	C(C[5a]C[5a]O[5a])(CH3)(NN)	114.4130	0.000	1	114.4130	0.000	1	115.0030	0.696	2	115.5490	1.242	3	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:2:	3:4:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:Si-4:C-2:	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CSiC)	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]O[5a])(SiC3)(CC)	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CSiC){1|C<3>}	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(SiC3)(CC)	116.6410	0.000	1	116.6410	0.000	1	116.6410	0.000	1	115.5490	1.242	3	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O-1:O-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(O)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(COO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C(C[5a]C[5a]O[5a])(O)2	113.5007	1.466	6	113.5007	2.150	6	113.5007	2.150	6	116.6730	5.891	37	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:O-1:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(H)(O)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CHO){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)(O)	116.9740	0.000	1	117.4067	0.487	3	117.9783	3.434	23	116.6730	5.891	37	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:O-1:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(H)(O)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CHO){4|C<3>}	O[5a](C[5a]C[5a]C)2{2|C<3>}	C(C[5a]C[5a]O[5a])(H)(O)	117.6230	0.833	2	117.4067	0.487	3	117.9783	3.434	23	116.6730	5.891	37	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(H)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C(C[5a]C[5a]O[5a])(H)(O)	112.5390	0.000	1	112.5390	0.000	1	117.9783	3.434	23	116.6730	5.891	37	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]B)(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(H)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){1|B<3>,1|H<1>}	O[5a](C[5a]C[5a]B)(C[5a]C[5a]C){2|H<1>}	C(C[5a]C[5a]O[5a])(H)(O)	120.0530	0.000	1	120.0530	0.000	1	117.9783	3.434	23	116.6730	5.891	37	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(H)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(H)(O)	117.3420	2.419	5	117.3420	5.851	5	117.9783	3.434	23	116.6730	5.891	37	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(H)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)(O)	118.5395	0.293	4	118.6138	0.753	13	117.9783	3.434	23	116.6730	5.891	37	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(H)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(H)(O)	117.7337	1.161	3	118.6138	0.753	13	117.9783	3.434	23	116.6730	5.891	37	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(H)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(H)(O)	118.9014	0.517	5	118.6138	0.753	13	117.9783	3.434	23	116.6730	5.891	37	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(H)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){2|C<3>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(H)(O)	120.1140	0.000	1	118.6138	0.753	13	117.9783	3.434	23	116.6730	5.891	37	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(O)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(O)2	116.6220	1.611	2	116.6220	2.595	2	115.2995	1.588	8	116.6730	5.891	37	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(O)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(O)2	114.8587	0.878	6	114.8587	0.772	6	115.2995	1.588	8	116.6730	5.891	37	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CHN)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(NN)(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CHN){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(NN)(H)	117.5150	0.000	1	117.5150	0.000	1	117.5150	0.000	1	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(OH)(O)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(COO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C(C[5a]C[5a]O[5a])(OH)(O)	113.0090	0.849	2	113.0090	0.720	2	116.2846	9.441	10	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(COO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(OC)(O)	115.3390	0.272	2	115.3390	0.074	2	116.2846	9.441	10	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(OC)(O)	114.6220	0.000	1	118.0763	9.619	4	116.2846	9.441	10	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]O[5a])(OC)(O)	118.5335	3.171	2	118.0763	9.619	4	116.2846	9.441	10	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(OC)(O)	120.6160	0.000	1	118.0763	9.619	4	116.2846	9.441	10	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO){1|C<3>,1|N<2>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C(C[5a]C[5a]O[5a])(OC)(O)	119.9570	0.000	1	119.9570	0.000	1	116.2846	9.441	10	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(COO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C(C[5a]C[5a]O[5a])(OC)(O)	113.8880	0.000	1	113.8880	0.000	1	116.2846	9.441	10	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NC)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NC)(H)	118.6800	0.000	1	118.6800	0.000	1	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NC[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[5a])(H)	119.3113	0.718	7	119.3113	0.516	7	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NC[6])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6])(H)	118.8610	1.008	2	118.8610	1.017	2	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NN)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NN)(H)	119.0800	1.515	23	119.0800	2.296	23	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NN[5])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NN[5])(H)	118.5160	2.593	13	118.5160	6.724	13	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NN[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NN[5a])(H)	118.8325	0.284	2	118.8325	0.080	2	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NO)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NO)(H)	119.3130	0.000	1	119.3130	0.000	1	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(NC[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[5a])(H)	116.1300	0.000	1	116.1300	0.000	1	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(NN)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C(C[5a]C[5a]O[5a])(NN)(H)	115.7334	1.428	18	115.7334	2.038	18	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(NN[5])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C(C[5a]C[5a]O[5a])(NN[5])(H)	117.5118	1.695	19	117.5118	2.873	19	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(NN[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C(C[5a]C[5a]O[5a])(NN[5a])(H)	120.2210	0.000	1	120.2210	0.000	1	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(NO)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C(C[5a]C[5a]O[5a])(NO)(H)	116.3260	3.210	2	116.3260	10.306	2	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(NC)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(NC)(H)	119.5820	0.000	1	119.5820	0.000	1	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(NC[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(NC[5a])(H)	119.2490	0.000	1	119.2490	0.000	1	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(NC[6a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a])(H)	119.6705	0.936	6	119.6115	0.541	10	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(NC[6a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a])(H)	119.5230	0.381	4	119.6115	0.541	10	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(NN)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(NN)(H)	118.7405	1.670	8	118.7405	2.788	8	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(NC[6a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a])(H)	119.8540	0.000	1	119.8540	0.000	1	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(NN)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NN)(H)	117.6405	2.635	2	117.6405	6.945	2	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(NN[5])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NN[5])(H)	118.9080	0.000	1	118.9080	0.000	1	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(NO)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|Cl<1>,1|H<1>}	O[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){2|H<1>}	C(C[5a]C[5a]O[5a])(NO)(H)	113.8240	0.000	1	113.8240	0.000	1	118.1371	4.176	115	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NN[5])(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NN[5])(O)	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(COO){1|C<3>,1|N<3>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(OC)(O)	115.1250	0.223	2	115.1250	0.050	2	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(COO){1|C<3>,1|N<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C(C[5a]C[5a]O[5a])(OC)(O)	116.2679	1.919	9	116.1195	3.494	10	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(COO){1|Cl<1>,1|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,3|C<3>}	C(C[5a]C[5a]O[5a])(OC)(O)	114.7840	0.000	1	116.1195	3.494	10	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO){1|O<2>,3|C<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){2|C<3>}	C(C[5a]C[5a]O[5a])(OC)(O)	113.6710	0.000	1	113.6710	0.000	1	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(OC)(O)	117.3050	0.000	1	117.3050	0.000	1	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C(C[5a]C[5a]O[5a])(OC)(O)	114.4160	0.000	1	114.4160	0.000	1	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(OC)(O)	115.7820	0.000	1	115.8780	0.220	3	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(OC)(O)	115.9260	0.653	2	115.8780	0.220	3	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(OC[5])(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(OC[5])(O)	116.8020	0.000	1	116.8020	0.000	1	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(OC[6a])(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(OC[6a])(O)	117.0660	2.356	3	117.0660	5.551	3	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(OCu)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(OCu)(O)	118.1790	0.629	2	118.1790	0.396	2	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(ONi)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(ONi)(O)	119.5230	0.000	1	119.5230	0.000	1	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(OZn)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(OZn)(O)	117.7665	0.723	2	117.7665	0.523	2	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(OH)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C(C[5a]C[5a]O[5a])(OH)(O)	118.2860	0.000	1	118.2860	0.000	1	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){2|C<3>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(OC)(O)	119.8900	0.000	1	119.8900	0.000	1	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(OH)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(OH)(O)	115.6900	1.256	3	116.1977	2.083	4	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(OH)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(OH)(O)	117.7210	0.000	1	116.1977	2.083	4	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[5a]O)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(ORu)(O)	C[5a](C[5a]C[5a]O)(O[5a]C[5a])(COO){1|C<3>,1|O<2>}	O[5a](C[5a]C[5a]C)2{2|O<2>}	C(C[5a]C[5a]O[5a])(ORu)(O)	117.6740	0.909	2	117.6740	0.827	2	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(COO){1|C<4>,2|C<3>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>}	C(C[5a]C[5a]O[5a])(OC)(O)	114.5160	0.000	1	114.5160	0.000	1	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(COO)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(COO){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C(C[5a]C[5a]O[5a])(OC)(O)	117.1443	2.911	3	117.1443	8.475	3	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-1:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C(C[5a]C[5a]O[5a])(OC)(O)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(COO){1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|H<1>}	C(C[5a]C[5a]O[5a])(OC)(O)	117.0050	0.000	1	117.0050	0.000	1	116.6289	3.307	40	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COS)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(SC[5])(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COS){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(SC[5])(O)	117.6480	0.000	1	117.6480	0.000	1	117.7505	0.021	2	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COS)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(SS)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COS){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(SS)(O)	117.8530	0.000	1	117.8530	0.000	1	117.7505	0.021	2	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:Se-2:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CSeO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(SeSe)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CSeO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(SeSe)(O)	116.9480	0.000	1	116.9480	0.000	1	116.9480	0.000	1	117.6418	4.635	170	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:2:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N-2:O-2:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CNO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(NC)(OC)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CNO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NC)(OC)	117.1300	0.000	1	117.1300	0.000	1	117.1300	0.000	1	117.2491	1.045	14	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:O-2:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(NH)(OC)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CNO){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)2{1|C<2>,1|C<3>}	C(C[5a]C[5a]O[5a])(NH)(OC)	114.6940	0.000	1	114.6940	0.000	1	116.1335	4.144	2	117.2491	1.045	14	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:O-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NN)(OH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NN)(OH)	117.5730	0.000	1	117.5730	0.000	1	116.1335	4.144	2	117.2491	1.045	14	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:N-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(OCo)(NC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(OCo)(NC)	117.9583	0.334	3	117.9583	0.112	3	117.7814	0.166	9	117.2491	1.045	14	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:N-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(OCu)(NC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(OCu)(NC)	117.5400	0.758	2	117.5400	0.575	2	117.7814	0.166	9	117.2491	1.045	14	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:N-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(ONi)(NC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(ONi)(NC)	117.7695	0.324	4	117.7695	0.105	4	117.7814	0.166	9	117.2491	1.045	14	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(ORu)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(ORu)2	116.0285	0.292	2	116.0285	0.085	2	116.0285	0.085	2	117.2491	1.045	14	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:2:4:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-2:C-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NC[6a])(CCHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a])(CCHH)	117.4970	0.000	1	117.4970	0.000	1	117.4970	0.000	1	117.4970	0.000	1	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C(C[5a]C[5a,6]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){2|C<3>,2|C<4>}	C(C[5a]C[5a,6]O[5a])(C[6a]C[6a]2)(O)	121.6460	0.000	1	121.6460	0.000	1	121.6460	0.000	1	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	C(C[5a]C[5a,6a]O[5a])(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH){1|H<1>,1|N<2>,2|C<3>}	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	C(C[5a]C[5a,6a]O[5a])(COO)(H)	115.7620	0.000	1	115.7620	0.000	1	121.0178	6.267	8	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a,6a]C)2	C(C[5a]C[5a,6a]O[5a])(CC[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C(C[5a]C[5a,6a]O[5a])(CC[6a]N)(H)	121.3810	0.000	1	121.3810	0.000	1	121.0178	6.267	8	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a,6a]C)2	C(C[5a]C[5a,6a]O[5a])(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C(C[5a]C[5a,6a]O[5a])(COO)(H)	122.4214	0.660	5	122.4214	0.436	5	121.0178	6.267	8	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C(C[5a]C[5a,6a]O[5a])(CC[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH){1|O<1>,1|O<2>,2|C<3>}	O[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){4|C<3>}	C(C[5a]C[5a,6a]O[5a])(CC[6a]H)(H)	118.8920	0.000	1	118.8920	0.000	1	121.0178	6.267	8	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[5]H)	O[5a](C[5a]C[5a,6a]C)2	C(C[5a]C[5a,6a]O[5a])(C[5]N[5]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[5]H){1|C<4>,3|C<3>}	O[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C(C[5a]C[5a,6a]O[5a])(C[5]N[5]O[5])(H)	120.7530	0.694	4	120.7530	0.482	4	120.7530	0.482	4	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H)	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	122.2810	0.000	1	122.2810	0.000	1	122.2928	1.697	10	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H)	O[5a](C[5a]C[5a,6a]C)2	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	121.9949	1.123	8	121.9949	1.261	8	122.2928	1.697	10	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CC[6a]H)	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]O)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CC[6a]H){1|O<2>,2|C<3>}	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]O){1|C<3>,1|N<2>}	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	124.6880	0.000	1	124.6880	0.000	1	122.2928	1.697	10	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:I-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]I)	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(I)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]I){1|H<1>,1|N<2>,2|C<3>}	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(I)	116.5795	0.392	2	116.5795	0.154	2	116.5795	0.154	2	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(CC[6a]O)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(O)	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(CC[6a]O){1|C<4>,3|C<3>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(O)	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(CCC)(H)	109.3380	0.000	1	109.3380	0.000	1	116.8980	7.279	20	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[6a]N[5])(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]N[5])(H)	117.2260	0.000	1	117.2260	0.000	1	116.8980	7.279	20	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCH){1|C<3>,1|N<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C(C[5a]C[5a]O[5a])(CCC)(H)	113.8590	0.000	1	113.8590	0.000	1	116.8980	7.279	20	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CCC)(H)	121.6660	0.000	1	121.6660	0.000	1	116.8980	7.279	20	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CCH)(H)	117.1440	0.000	1	117.1440	0.000	1	116.8980	7.279	20	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]C)(H)	117.9620	0.000	1	117.9620	0.000	1	116.8980	7.279	20	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]H)(H)	117.5740	0.185	2	117.5740	0.034	2	116.8980	7.279	20	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	119.6670	0.464	2	119.6670	0.215	2	116.8980	7.279	20	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	116.9904	1.578	8	116.9904	2.489	8	116.8980	7.279	20	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CClC)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CClC)(H)	115.1805	2.826	2	115.1805	7.988	2	116.8980	7.279	20	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:O-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[5]C)(O)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(CC[5]C)(O)	120.5450	0.000	1	120.5450	0.000	1	117.3255	4.858	4	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:O-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CCC)(O)	116.5980	0.000	1	116.5980	0.000	1	117.3255	4.858	4	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:O-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CCH)(O)	116.0795	0.759	2	116.0795	0.576	2	117.3255	4.858	4	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[5a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])2(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[5a]O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])2(O)	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[6a]H)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[6a]H){1|C<3>,1|N<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){4|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	117.6160	0.000	1	117.6160	0.000	1	117.6160	0.000	1	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	121.0920	0.000	1	121.0920	0.000	1	120.9883	14.342	15	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){4|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	118.6890	0.754	2	118.6890	0.568	2	120.9883	14.342	15	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	117.3400	0.000	1	117.3400	0.000	1	120.9883	14.342	15	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	115.1370	0.126	2	115.1370	0.016	2	120.9883	14.342	15	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	120.0103	2.930	3	120.0103	8.587	3	120.9883	14.342	15	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	124.7850	0.511	6	124.7850	0.261	6	120.9883	14.342	15	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CNO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(NHN)(O)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CNO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(NHN)(O)	116.2230	0.311	5	116.2230	0.097	5	116.5155	0.221	8	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CNO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(NHH)(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CNO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NHH)(O)	116.9000	0.000	1	116.9000	0.000	1	116.5155	0.221	8	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CNO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(NHN)(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CNO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NHN)(O)	117.1000	0.000	1	117.1000	0.000	1	116.5155	0.221	8	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CNO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(NHS)(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CNO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NHS)(O)	117.0090	0.000	1	117.0090	0.000	1	116.5155	0.221	8	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	120.9310	0.000	1	120.9310	0.000	1	121.1942	0.939	4	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	O[5a](C[5a]C[5a]C)2	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	121.9460	0.280	2	121.2820	1.362	3	121.1942	0.939	4	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	O[5a](C[5a]C[5a]C)2	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	119.9540	0.000	1	121.2820	1.362	3	121.1942	0.939	4	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(H)	118.1475	0.506	2	118.1475	0.256	2	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CCC)(H)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCH){1|C<4>,3|C<3>}	O[5a](C[5a]C[5a]C)2{2|C<3>}	C(C[5a]C[5a]O[5a])(CCC)(H)	119.6550	0.000	1	119.6550	0.000	1	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCH){4|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	116.5330	0.000	1	116.5330	0.000	1	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]C)(H)	118.3410	0.000	1	118.3410	0.000	1	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	117.2800	1.131	4	117.2800	1.278	4	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CHN)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|Br<1>,1|H<1>}	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C(C[5a]C[5a]O[5a])(CHN)(H)	118.4440	0.000	1	118.4440	0.000	1	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CCC)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CCC)(H)	119.4141	2.135	9	119.4141	4.557	9	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CCH)(H)	118.7090	1.787	29	118.7090	3.194	29	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CCN)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CCN)(H)	121.3597	0.885	3	121.3597	0.784	3	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CCS)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CCS)(H)	114.8580	0.717	3	114.8580	0.515	3	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CC[5a]H)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]H)(H)	118.2600	0.000	1	118.2600	0.000	1	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CC[6]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6]C)(H)	113.9300	0.216	2	113.9300	0.047	2	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	118.8815	0.738	4	118.8815	0.545	4	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	114.2270	0.477	4	114.2270	0.228	4	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CHN)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CHN)(H)	118.8504	0.312	7	118.8504	0.097	7	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CNN)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CNN)(H)	114.4420	0.000	1	114.4420	0.000	1	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(CCH)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C(C[5a]C[5a]O[5a])(CCH)(H)	118.5340	0.000	1	118.5340	0.000	1	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(CC[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]C)(H)	119.8040	0.000	1	119.8040	0.000	1	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CCC)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<2>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(CCC)(H)	119.1380	0.000	1	119.5665	3.485	6	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CCC)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCC)(H)	119.7620	0.000	1	119.5665	3.485	6	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CCC)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(CCC)(H)	118.9415	3.820	2	119.5665	3.485	6	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CCC)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(CCC)(H)	120.3080	0.851	2	119.5665	3.485	6	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CCH)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCH)(H)	119.6280	0.000	1	118.5756	0.597	5	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CCH)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(CCH)(H)	118.3125	0.578	4	118.5756	0.597	5	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CC[5a]H)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]H)(H)	114.8682	2.029	5	114.8682	4.115	5	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	117.3090	0.000	1	117.3090	0.000	1	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<2>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	113.6990	0.000	1	117.0183	8.539	3	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	118.6780	0.742	2	117.0183	8.539	3	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	118.1360	0.000	1	118.1360	0.000	1	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CCC)(H)	118.9300	0.000	1	118.9300	0.000	1	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a]N)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	C[5a](C[5a]C[5a]N)(O[5a]C[5a])(CCH){2|C<3>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	115.8925	0.012	2	115.8925	0.000	2	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CCH){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	117.8940	0.000	1	117.8940	0.000	1	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCH){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	122.7790	0.000	1	122.7790	0.000	1	118.1200	5.067	101	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:I-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCI)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CCH)(I)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCI){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCH)(I)	115.7860	0.000	1	115.7860	0.000	1	115.7860	0.000	1	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CCC)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CCC)(O)	128.6783	12.973	3	128.6783	168.290	3	118.6705	28.716	31	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CCH)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CCH)(O)	117.8136	1.507	18	117.8136	2.271	18	118.6705	28.716	31	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CCS)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CCS)(O)	124.6455	1.873	2	124.6455	3.509	2	118.6705	28.716	31	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CC[5a]O)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]O)(O)	116.2270	0.000	1	116.2270	0.000	1	118.6705	28.716	31	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CC[6a]C)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]C)(O)	117.8230	0.000	1	117.8230	0.000	1	118.6705	28.716	31	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CNO)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CNO)(O)	114.9273	0.225	4	114.9273	0.050	4	118.6705	28.716	31	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CCO)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CCO)(O)	114.0290	0.000	1	114.0290	0.000	1	118.6705	28.716	31	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CC[5a]O)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]O)(O)	115.0280	0.000	1	115.0280	0.000	1	118.6705	28.716	31	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(H)	116.3740	1.655	4	116.3740	2.738	4	117.4583	8.618	7	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(H)	116.6100	0.974	2	116.6100	0.949	2	117.4583	8.618	7	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(C[5]C[5,6a]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){1|C<2>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5,6a]2)(H)	123.4920	0.000	1	123.4920	0.000	1	117.4583	8.618	7	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a,5a]S[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a,5a]S[5a])(C[5a]C[5a]O[5a])(H)	115.8690	0.000	1	115.8690	0.000	1	122.3201	6.175	10	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(H)	121.5070	0.000	1	121.5070	0.000	1	122.3201	6.175	10	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])2(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])2(H)	123.2281	0.978	8	123.2281	0.957	8	122.3201	6.175	10	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(O)	115.7930	0.000	1	115.7930	0.000	1	116.4103	4.728	4	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(O)	115.5135	2.526	2	115.5135	6.383	2	116.4103	4.728	4	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5a]C[5a]2)(O)	118.8210	0.000	1	118.8210	0.000	1	116.4103	4.728	4	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(C[6]C[6,6]C[6])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6,6]C[6])(H)	121.2560	0.000	1	121.2560	0.000	1	114.0936	5.458	17	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	113.9244	1.619	12	113.9244	2.621	12	114.0936	5.458	17	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	112.8107	0.299	4	112.8107	0.090	4	114.0936	5.458	17	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(C[6]C[5,6]C[6])(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]O){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[5,6]C[6])(O)	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:H-1:	C[5a](C[5a]N[5a]N)(O[5a]C[5a])(CC[6a]H)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]N[5a]N)(O[5a]C[5a])(CC[6a]H){1|C<4>,1|O<1>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|C<4>,1|N<2>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	121.0500	0.000	1	121.0500	0.000	1	121.0500	0.000	1	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	117.5430	0.000	1	117.5430	0.000	1	115.7963	6.878	10	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]S[6a])(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]S[6a])(O)	115.8040	0.000	1	115.8040	0.000	1	115.7963	6.878	10	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O){1|C<3>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	113.2765	1.498	2	113.2765	2.245	2	115.7963	6.878	10	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	115.1280	0.000	1	115.1280	0.000	1	115.7963	6.878	10	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O){1|C<3>,1|S<2>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	117.1753	4.267	3	117.1753	18.209	3	115.7963	6.878	10	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]O){3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|O<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	114.8910	0.000	1	114.8910	0.000	1	115.7963	6.878	10	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CC[6a]O){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	116.5180	0.000	1	116.5180	0.000	1	115.7963	6.878	10	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NPdC)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NPdC)(H)	122.2420	0.000	1	122.2420	0.000	1	114.6551	9.579	24	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NZnC)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NZnC)(H)	116.2640	1.983	2	116.2640	3.931	2	114.6551	9.579	24	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(NPdN)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C(C[5a]C[5a]O[5a])(NPdN)(H)	111.4375	0.278	2	111.4375	0.077	2	114.6551	9.579	24	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(NPtN)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C(C[5a]C[5a]O[5a])(NPtN)(H)	111.6460	0.240	2	111.6460	0.058	2	114.6551	9.579	24	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(NReN)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C(C[5a]C[5a]O[5a])(NReN)(H)	113.0878	3.679	6	113.0878	13.535	6	114.6551	9.579	24	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(NRuN)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C(C[5a]C[5a]O[5a])(NRuN)(H)	112.8885	0.319	2	112.8885	0.102	2	114.6551	9.579	24	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(NLiC)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(NLiC)(H)	116.2758	0.535	9	116.2758	0.286	9	114.6551	9.579	24	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NCH)(O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CNO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(NCH)(O)	112.2240	0.000	1	112.2240	0.000	1	117.5114	3.465	77	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NCC)(O)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CNO){2|C<3>,2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(NCC)(O)	114.2280	0.000	1	114.2280	0.000	1	117.5114	3.465	77	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CNO){4|C<3>}	O[5a](C[5a]C[5a]C)2{2|C<3>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	114.6390	0.310	2	114.6390	0.096	2	117.5114	3.465	77	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NCC)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NCC)(O)	120.8380	0.000	1	120.8380	0.000	1	117.5114	3.465	77	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NCH)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NCH)(O)	117.7130	1.502	25	117.7130	2.256	25	117.5114	3.465	77	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NC[3x6]H)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[3x6]H)(O)	119.5920	0.000	1	119.5920	0.000	1	117.5114	3.465	77	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NC[5a]C)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[5a]C)(O)	119.2330	0.000	1	119.2330	0.000	1	117.5114	3.465	77	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NC[5a]H)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[5a]H)(O)	117.3050	0.000	1	117.3050	0.000	1	117.5114	3.465	77	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	118.2196	0.858	8	118.2196	0.737	8	117.5114	3.465	77	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(NHN)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(NHN)(O)	117.4409	1.967	33	117.4409	3.870	33	117.5114	3.465	77	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(NCH)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NCH)(O)	117.3960	0.000	1	117.3960	0.000	1	117.5114	3.465	77	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(NHN)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NHN)(O)	116.4090	0.000	1	116.4090	0.000	1	117.5114	3.465	77	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:O-1:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(NCH)(O)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CNO){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C(C[5a]C[5a]O[5a])(NCH)(O)	117.7450	0.000	1	117.7450	0.000	1	117.5114	3.465	77	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:S-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNS)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(NC[6a]H)(S)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNS){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(S)	117.6960	0.091	2	117.6960	0.008	2	117.6960	0.008	2	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]O){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(O)	117.9590	6.630	2	117.9590	43.955	2	116.0345	20.166	4	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]O){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(O)	114.1100	1.315	2	114.1100	1.730	2	116.0345	20.166	4	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]H){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)	114.1270	0.000	1	114.1270	0.000	1	114.1270	0.000	1	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]O){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(O)	122.0010	0.000	1	122.0010	0.000	1	122.0010	0.000	1	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	N[5]-3:C[5a]-3:O-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CN[5]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(N[5]C[5,5,6]S[5])(C[5a]C[5a]O[5a])(O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CN[5]O){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C(N[5]C[5,5,6]S[5])(C[5a]C[5a]O[5a])(O)	118.8460	0.000	1	118.8460	0.000	1	116.4050	11.917	2	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	N[5]-3:C[5a]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(N[5]C[5,5,6]S[5])(C[5a]C[5a]O[5a])(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]O){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(N[5]C[5,5,6]S[5])(C[5a]C[5a]O[5a])(O)	113.9640	0.000	1	113.9640	0.000	1	116.4050	11.917	2	117.8447	10.918	373	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:C-2:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[5a]H)(CN)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]H)(CN)	116.3355	0.378	2	116.3355	0.143	2	116.3355	0.143	2	117.3098	2.488	9	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:N-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(COO)(NO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(COO)(NO)	118.3670	0.000	1	118.3670	0.000	1	118.3670	0.000	1	117.3098	2.488	9	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:O-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CCH)(OCu)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CCH)(OCu)	119.9860	0.000	1	119.9860	0.000	1	118.4545	1.487	4	117.3098	2.488	9	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:O-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CCH)(OH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CCH)(OH)	117.5920	0.000	1	117.5920	0.000	1	118.4545	1.487	4	117.3098	2.488	9	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:O-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CC[5]H)(ONi)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5]H)(ONi)	118.1200	1.072	2	118.1200	1.149	2	118.4545	1.487	4	117.3098	2.488	9	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]C)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]C){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CN)	115.4660	0.488	2	115.4660	0.238	2	115.4660	0.238	2	117.3098	2.488	9	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]C)	O[5a](C[5a]C[5a,6a]C)2	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]C){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(COO)	118.4370	0.000	1	118.4370	0.000	1	118.4370	0.000	1	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]N)	O[5a](C[5a]C[5a,6a]C)2	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]N){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH)	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCH)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]C){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCH)	118.9485	1.384	2	118.9485	1.915	2	118.9485	1.915	2	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(CNO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCC){1|C<3>,1|O<2>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(CNO)	110.6130	0.000	1	110.6130	0.000	1	114.5042	6.991	4	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:C-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CCH)(CCO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCC){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CCH)(CCO)	115.0990	0.000	1	115.0990	0.000	1	114.5042	6.991	4	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:C-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCC)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CCO)(CNO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCC){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(CCO)(CNO)	116.0030	0.000	1	116.0030	0.000	1	114.5042	6.991	4	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:C-3:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCC)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C(C[5a]C[5a]O[5a])(CCO)(COO)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCC){1|C<4>,2|C<3>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>}	C(C[5a]C[5a]O[5a])(CCO)(COO)	116.3020	0.000	1	116.3020	0.000	1	114.5042	6.991	4	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]C)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]C){1|C<3>,1|O<2>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	114.4330	0.000	1	114.4330	0.000	1	115.7192	2.253	5	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]C)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]C){1|O<2>,3|C<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){2|C<3>}	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	115.6005	0.715	2	115.6005	0.511	2	115.7192	2.253	5	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]C)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]C){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	116.4810	2.379	2	116.4810	5.658	2	115.7192	2.253	5	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]C[6])	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]C[6]){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6]C[6]2)	125.0220	0.000	1	125.0220	0.000	1	125.0220	0.000	1	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:N-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]N)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NCH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]N){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NCH)	117.8638	1.630	4	117.8638	2.657	4	116.6497	3.682	7	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:N-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]N)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NC[6a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]N){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NC[6a]H)	114.8715	0.460	2	114.8715	0.212	2	116.6497	3.682	7	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:N-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]N)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(NHS)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]N){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(NHS)	115.3500	0.000	1	115.3500	0.000	1	116.6497	3.682	7	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]C)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])2(CC[5a]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]C){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])2(CC[5a]2)	117.7553	1.029	8	117.7553	1.059	8	117.7553	1.059	8	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]C)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]C){1|C<3>,1|O<2>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[5a]C)	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2){1|C<4>,3|C<3>}	O[5a](C[5a]C[5a]C)2{2|C<3>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2	117.2800	0.000	1	117.2800	0.000	1	117.2800	0.000	1	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:C-3:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCN)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O)	C(C[5a]C[5a]O[5a])(NC[6a]C)(CHH)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCN){1|C<3>,1|O<1>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a]C)(CHH)	117.8860	0.000	1	117.8860	0.000	1	117.8860	0.000	1	116.9664	6.558	32	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:4:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:C-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CC[6a]H)(CCHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCC){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]H)(CCHH)	117.4200	0.000	1	117.4200	0.000	1	117.4200	0.000	1	115.1007	4.034	3	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:3:4:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	N[5]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]C)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(N[5]C[5,5,6]N[5])(C[5a]C[5a]O[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]C){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(N[5]C[5,5,6]N[5])(C[5a]C[5a]O[5a])(CH3)	113.9410	0.000	2	113.9410	0.000	2	113.9410	0.000	2	115.1007	4.034	3	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a,6]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C(C[5a]C[5a,6]O[5a])(CCHH)(O)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CCO){1|C<3>,1|C<4>,3|H<1>}	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){1|C<3>,1|C<4>}	C(C[5a]C[5a,6]O[5a])(CCHH)(O)	117.8415	0.479	4	117.6023	0.275	6	117.6023	0.275	6	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a,6]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C(C[5a]C[5a,6]O[5a])(CCHH)(O)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CCO){2|C<4>,3|H<1>}	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|C<4>}	C(C[5a]C[5a,6]O[5a])(CCHH)(O)	117.1240	0.000	2	117.6023	0.275	6	117.6023	0.275	6	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a,6]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:O-1:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CC[6]O)	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C(C[5a]C[5a,6]O[5a])(C[6]C[6]2H)(O)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CC[6]O){2|C<4>,3|H<1>}	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|C<4>}	C(C[5a]C[5a,6]O[5a])(C[6]C[6]2H)(O)	118.2870	0.000	1	118.2870	0.000	1	118.2870	0.000	1	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:Si-4:H-1:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(O[5a]C[5a,6a])(CSiH)	O[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)	C(C[5a]C[5a,6a]O[5a])(SiC3)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(O[5a]C[5a,6a])(CSiH){1|H<1>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]O[5a])(SiC3)(H)	118.9710	0.000	1	118.9710	0.000	1	118.9710	0.000	1	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	C(C[5a]C[5a,6a]O[5a])(CHHO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH){1|H<1>,1|N<2>,2|C<3>}	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	C(C[5a]C[5a,6a]O[5a])(CHHO)(H)	120.3150	0.000	1	120.3150	0.000	1	120.3150	0.000	1	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CH3)(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(CH3)(O)	116.4760	0.000	1	116.5680	0.017	2	117.5522	2.678	13	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CH3)(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CH3)(O)	116.6600	0.000	1	116.5680	0.017	2	117.5522	2.678	13	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CHHO)(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CHHO)(O)	116.0973	0.406	4	116.0973	0.165	4	117.5522	2.678	13	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CHHS)(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CHHS)(O)	115.5150	0.000	1	115.5150	0.000	1	117.5522	2.678	13	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CCO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CH3)(O)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CCO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]O[5a])(CH3)(O)	119.4157	0.577	3	119.1897	0.196	6	117.5522	2.678	13	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CCO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CH3)(O)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CCO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(CH3)(O)	118.9637	0.056	3	119.1897	0.196	6	117.5522	2.678	13	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[4]-4:O-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[4]O)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[4]C[4]2H)(O)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[4]O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C(C[5a]C[5a]O[5a])(C[4]C[4]2H)(O)	115.9060	0.000	1	115.9060	0.000	1	116.4543	0.458	3	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[4]-4:O-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[4]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[4]C[4]2H)(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[4]O){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[4]C[4]2H)(O)	116.7285	0.682	2	116.7285	0.466	2	116.4543	0.458	3	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CH3)(O)	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(CCO){1|C<3>,1|N<3>,2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(CH3)(O)	114.9905	0.196	2	114.9905	0.038	2	116.7576	3.910	18	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C(C[5a]C[5a]O[5a])(CH3)(O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCO){1|H<1>,1|O<2>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CH3)(O)	116.7445	0.252	2	116.7445	0.064	2	116.7576	3.910	18	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CH3)(O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCO){1|C<3>,1|O<2>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C(C[5a]C[5a]O[5a])(CH3)(O)	117.1130	0.000	1	117.1130	0.000	1	116.7576	3.910	18	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CH3)(O)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCO){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C(C[5a]C[5a]O[5a])(CH3)(O)	115.0080	0.000	1	115.0080	0.000	1	116.7576	3.910	18	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CCHH)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CCHH)(O)	117.4123	1.836	4	117.4123	3.372	4	116.7576	3.910	18	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CCHO)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CCHO)(O)	116.6330	0.000	1	116.6330	0.000	1	116.7576	3.910	18	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CC[6a]CO)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]CO)(O)	114.8290	0.000	1	114.8290	0.000	1	116.7576	3.910	18	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CH3)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>}	C(C[5a]C[5a]O[5a])(CH3)(O)	116.7250	0.000	1	116.7250	0.000	1	116.7576	3.910	18	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CHHS)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CHHS)(O)	116.0950	0.000	1	116.0950	0.000	1	116.7576	3.910	18	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CN[5a]CH)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CN[5a]CH)(O)	115.6360	0.000	1	115.6360	0.000	1	116.7576	3.910	18	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CN[5a]HH)(O)	116.7685	1.199	2	116.7685	1.437	2	116.7576	3.910	18	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:O-1:	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC3)(O)	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CCO){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|S<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(CC3)(O)	122.9410	0.000	1	122.9410	0.000	1	116.7576	3.910	18	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]H)(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]O){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]H)(O)	116.5610	0.000	1	116.5610	0.000	1	116.5610	0.000	1	117.2483	2.860	44	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:2:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:N-2:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCN)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CH3)(NO)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCN){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CH3)(NO)	117.0507	0.575	3	117.0507	0.331	3	117.0507	0.331	3	116.0278	2.291	17	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:N-2:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CH3)(NO)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCN){1|C<4>,1|O<2>,3|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CH3)(NO)	115.8770	0.000	1	115.8770	0.000	1	115.8086	2.476	14	116.0278	2.291	17	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:N-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CH3)(NN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CH3)(NN)	117.2743	0.596	3	117.2743	0.355	3	115.8086	2.476	14	116.0278	2.291	17	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:N-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CH3)(NO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(CH3)(NO)	117.1148	0.846	4	117.1148	0.716	4	115.8086	2.476	14	116.0278	2.291	17	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:N-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CHHN)(NO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CHHN)(NO)	113.9935	0.163	2	113.9935	0.027	2	115.8086	2.476	14	116.0278	2.291	17	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:N-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(NO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CN[5a]HH)(NO)	114.2935	0.291	4	114.2935	0.085	4	115.8086	2.476	14	116.0278	2.291	17	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:3:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:C-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CH3)(CCH)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(CH3)(CCH)	117.8590	0.000	1	117.8590	0.000	1	117.4605	0.318	2	117.0336	0.855	5	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:3:	C[5a]-3:O[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:C-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CH3)(CHN)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CH3)(CHN)	117.0620	0.000	1	117.0620	0.000	1	117.4605	0.318	2	117.0336	0.855	5	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:C-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(CHHO)(CCH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCC){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(CHHO)(CCH)	117.9020	0.000	1	117.9020	0.000	1	117.9020	0.000	1	117.0336	0.855	5	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:C-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]C)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2Fe)(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]C){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2Fe)(CC[5a]C[5])	116.6720	0.000	1	116.6720	0.000	1	116.1725	0.499	2	117.0336	0.855	5	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	3:3:	3:4:3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:C-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]C)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]C){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CHH)	115.6730	0.000	1	115.6730	0.000	1	116.1725	0.499	2	117.0336	0.855	5	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	4:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	B[5a]-4:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH)	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(H)	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH){1|C<3>,2|F<1>}	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C){2|C<3>}	C(C[5a]C[5a]O[5a])(CCH)(H)	120.8600	0.000	1	120.4751	0.170	7	120.4751	0.170	7	121.9064	8.194	9	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	4:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	B[5a]-4:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH)	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(H)	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH){1|C<4>,2|F<1>}	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(CCH)(H)	120.4110	0.412	6	120.4751	0.170	7	120.4751	0.170	7	121.9064	8.194	9	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:2:3:	4:3:	3:3:1:	C[5a]-3:O[5a]-2:C-3:	B[5a]-4:C[5a]-3:	C[5a]-3:C[6a]-3:H-1:	C[5a](C[5a]N[5a]H)(O[5a]B[5a])(CC[6a]H)	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]N[5a]H)(O[5a]B[5a])(CC[6a]H){1|C<4>,2|F<1>}	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	126.9160	0.033	2	126.9160	0.001	2	126.9160	0.001	2	121.9064	8.194	9	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:3:2:	3:3:	3:3:3:	C-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	123.3093	1.435	12	123.3093	2.058	12	121.0381	10.665	53	120.8902	9.378	62	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:3:2:	3:3:	3:3:3:	C-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	120.3452	3.399	40	120.3452	11.554	40	121.0381	10.665	53	120.8902	9.378	62	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:3:2:	3:3:	3:3:3:	C-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C)2	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	121.5030	0.000	1	121.5030	0.000	1	121.0381	10.665	53	120.8902	9.378	62	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:3:2:	3:3:	3:3:3:	C[5a]-3:C-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a])	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a]){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	122.5400	0.000	1	122.5400	0.000	1	122.5400	0.000	1	120.8902	9.378	62	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:3:2:	3:3:	3:3:3:	C[5a]-3:C-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]H)(CC[5a]C[5])(O[5a]C[5a])	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(CC[5a]C[5])(O[5a]C[5a]){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[5]C[5]N[5])	120.2195	1.015	2	120.2195	1.030	2	120.2195	1.030	2	120.8902	9.378	62	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:3:2:	3:3:	3:3:3:	C[5a]-3:C-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[5]-3:	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a])	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a]){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)	119.5992	0.406	4	119.5992	0.165	4	119.5992	0.165	4	120.8902	9.378	62	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:3:2:	3:3:	3:3:3:	C[5a]-3:C-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(CC[6a]C[6])(O[5a]C[5a])	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(CC[6a]C[6])(O[5a]C[5a]){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[6]C[6]2)	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	120.8902	9.378	62	117.8705	8.578	866	117.8705	8.578	866
727	537	930	0:SP2_SP2_SP2	C[5a]	O[5a]	C	3:3:2:	3:3:	3:3:3:	N[5a]-3:C-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(C[5a]N[5a]C)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(O[5a]C[5a]){1|C<3>,1|O<1>}	O[5a](C[5a]C[5a]O)(C[5a]N[5a]C){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	119.2650	0.000	1	119.2650	0.000	1	119.2650	0.000	1	120.8902	9.378	62	117.8705	8.578	866	117.8705	8.578	866
727	537	933	0:SP2_SP2_SP2	C[5a,6a]	O[5a]	O[6a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(O[6a]C[6a,6a])(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]O[6a])(C[5a]C[5a]C[6a])	O[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(O[6a]C[6a,6a])(O[5a]C[5a]){1|I<1>,1|O<1>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]O[6a])(C[5a]C[5a]C[6a]){1|I<1>,4|C<3>}	O[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	115.3570	0.000	1	115.3570	0.000	1	115.3570	0.000	1	115.3570	0.000	1	115.3570	0.000	1	115.3570	0.000	1
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:2:	3:2:	3:2:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N-2:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N(C[5a]N[5a]O[5a])(NC[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<3>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	N(C[5a]N[5a]O[5a])(NC[5a])	121.1030	0.000	1	121.1030	0.000	1	121.1030	0.000	1	121.1030	0.000	1	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:2:	3:2:	3:3:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N(C[5a]N[5a]O[5a])(CNN)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC){1|O<2>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|O<2>}	N(C[5a]N[5a]O[5a])(CNN)	114.3860	0.000	1	114.3860	0.000	1	114.3860	0.000	1	111.6334	2.501	5	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:2:	3:2:	3:3:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N(C[5a]N[5a]O[5a])(NOO)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<3>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	N(C[5a]N[5a]O[5a])(NOO)	110.8367	0.443	3	110.9453	0.178	4	110.9453	0.178	4	111.6334	2.501	5	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:2:	3:2:	3:3:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N(C[5a]N[5a]O[5a])(NOO)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<4>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<4>}	N(C[5a]N[5a]O[5a])(NOO)	111.2710	0.000	1	110.9453	0.178	4	110.9453	0.178	4	111.6334	2.501	5	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:2:	3:3:	3:1:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:N[5a]-3:	C[5a]-3:H-1:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NH)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]S)	N(C[5a]N[5a]O[5a])(H)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NH){1|O<1>,1|S<4>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]S){1|O<1>}	N(C[5a]N[5a]O[5a])(H)	116.5690	0.000	1	116.5690	0.000	1	116.5690	0.000	1	116.5690	0.000	1	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a])	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]){1|H<1>}	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	115.8610	0.000	1	115.8610	0.000	1	115.8610	0.000	1	114.0115	6.841	2	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:2:	3:3:	3:3:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NN)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(NOO)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NN){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|N<2>,1|O<2>}	N(C[5a]N[5a]O[5a])(NOO)	112.1620	0.000	1	112.1620	0.000	1	112.1620	0.000	1	114.0115	6.841	2	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:2:	3:3:	C[5a]-3:O[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC)	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N(C[5a]C[5a]O[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC){1|C<4>}	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){2|C<4>}	N(C[5a]C[5a]O[5a])(CC[6a]H)	120.5717	0.798	9	120.5717	0.637	9	120.1494	2.350	10	120.1494	2.350	10	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:2:	3:3:	C[5a]-3:O[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC)	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N(C[5a]C[5a]O[5a])(CNS)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC){1|C<3>}	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){2|C<3>}	N(C[5a]C[5a]O[5a])(CNS)	116.3490	0.000	1	116.3490	0.000	1	120.1494	2.350	10	120.1494	2.350	10	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:2:	3:4:	C[5a]-3:O[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:S-4:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NS)	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N(C[5a]C[5a]O[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NS){1|C<4>}	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){2|C<4>}	N(C[5a]C[5a]O[5a])(SC[6a]OO)	115.2650	1.185	2	115.2650	1.404	2	115.2650	1.404	2	115.2650	1.404	2	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:3:	3:2:	C[5a,6a]-3:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NO)	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	N(C[5a]C[5a,6a]O[5a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NO){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	N(C[5a]C[5a,6a]O[5a])(OC)	124.4705	0.865	2	124.4705	0.748	2	124.4705	0.748	2	124.4705	0.748	2	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:3:	3:3:	C[5a,6a]-3:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC[6a])	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	N(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC[6a]){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	N(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)	125.9840	0.000	1	125.9840	0.000	1	125.9840	0.000	1	121.7633	4.360	10	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:3:	3:3:	C[5a]-3:O[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NC){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N(C[5a]C[5a]O[5a])(CC[6a]H)	120.2100	0.093	2	120.2100	0.009	2	120.2867	0.022	3	121.7633	4.360	10	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:3:	3:3:	C[5a]-3:O[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CHN)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NC){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N(C[5a]C[5a]O[5a])(CHN)	120.4400	0.000	1	120.4400	0.000	1	120.2867	0.022	3	121.7633	4.360	10	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:3:	3:3:	C[5a]-3:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC){2|C<3>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|C<2>,1|O<2>,2|C<3>}	N(C[5a]C[5a]O[5a])(CC[6a]H)	121.7640	0.561	2	121.7640	0.315	2	121.7982	2.967	6	121.7633	4.360	10	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:3:	3:3:	C[5a]-3:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CC[6a]Cl)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|H<1>}	N(C[5a]C[5a]O[5a])(CC[6a]Cl)	124.0820	0.000	1	124.0820	0.000	1	121.7982	2.967	6	121.7633	4.360	10	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:3:	3:3:	C[5a]-3:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CCH)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N(C[5a]C[5a]O[5a])(CCH)	118.8070	0.000	1	118.8070	0.000	1	121.7982	2.967	6	121.7633	4.360	10	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:3:	3:3:	C[5a]-3:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NC)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CCN)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NC){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){3|C<3>}	N(C[5a]C[5a]O[5a])(CCN)	122.0260	0.000	1	122.0260	0.000	1	121.7982	2.967	6	121.7633	4.360	10	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:3:	3:3:	C[5a]-3:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NC)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CCO)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NC){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){3|C<3>}	N(C[5a]C[5a]O[5a])(CCO)	122.3460	0.000	1	122.3460	0.000	1	121.7982	2.967	6	121.7633	4.360	10	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:3:	3:4:	C[5a,6a]-3:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC)	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	N(C[5a]C[5a,6a]O[5a])(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	N(C[5a]C[5a,6a]O[5a])(CC3)	126.2130	0.000	1	126.2130	0.000	1	125.3455	1.505	2	124.7280	1.896	3	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:3:	3:4:	C[5a,6a]-3:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC)	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	N(C[5a]C[5a,6a]O[5a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	N(C[5a]C[5a,6a]O[5a])(CH3)	124.4780	0.000	1	124.4780	0.000	1	125.3455	1.505	2	124.7280	1.896	3	119.3512	19.598	36	119.3512	19.598	36
727	537	941	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:2:	3:3:	3:4:	C[5a]-3:O[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S-4:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(NS)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(NS){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N(C[5a]C[5a]O[5a])(SC[6a]OO)	123.4930	0.000	1	123.4930	0.000	1	123.4930	0.000	1	124.7280	1.896	3	119.3512	19.598	36	119.3512	19.598	36
727	537	944	0:SP2_SP-NON_SP2	C[5a]	O[5a]	I	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(I)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)	I(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(I){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I){2|C<3>,2|C<4>}	I(C[5a]C[5a]O[5a])	115.4090	0.000	1	115.4090	0.000	1	116.4995	0.621	8	116.4995	0.621	8	116.4995	0.621	8	116.4995	0.621	8
727	537	944	0:SP2_SP-NON_SP2	C[5a]	O[5a]	I	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(I)	O[5a](C[5a]C[5a]B)(C[5a]C[5a]I)	I(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(I){1|B<3>,1|H<1>}	O[5a](C[5a]C[5a]B)(C[5a]C[5a]I){2|H<1>}	I(C[5a]C[5a]O[5a])	116.8118	0.626	6	116.8118	0.391	6	116.4995	0.621	8	116.4995	0.621	8	116.4995	0.621	8	116.4995	0.621	8
727	537	944	0:SP2_SP-NON_SP2	C[5a]	O[5a]	I	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(I)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]I)	I(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(I){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]I){2|H<1>}	I(C[5a]C[5a]O[5a])	115.7160	0.000	1	115.7160	0.000	1	116.4995	0.621	8	116.4995	0.621	8	116.4995	0.621	8	116.4995	0.621	8
727	537	945	0:SP2_SP2_SP3	C[5a]	O[5a]	P	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:Cl-1:Cl-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PCl2)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	P(C[5a]C[5a]O[5a])(Cl)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PCl2){2|H<1>}	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	P(C[5a]C[5a]O[5a])(Cl)2	122.7300	0.000	1	122.7300	0.000	1	122.7350	0.000	2	122.7350	0.000	2	119.5366	9.155	17	119.5366	9.155	17
727	537	945	0:SP2_SP2_SP3	C[5a]	O[5a]	P	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:Cl-1:Cl-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PCl2)	O[5a](C[5a]C[5a]P)2	P(C[5a]C[5a]O[5a])(Cl)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PCl2){1|H<1>,1|P<3>}	O[5a](C[5a]C[5a]P)2{2|H<1>}	P(C[5a]C[5a]O[5a])(Cl)2	122.7400	0.000	1	122.7400	0.000	1	122.7350	0.000	2	122.7350	0.000	2	119.5366	9.155	17	119.5366	9.155	17
727	537	945	0:SP2_SP2_SP3	C[5a]	O[5a]	P	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]P)	P(C[5a]C[5a]O[5a])3	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]P){2|H<1>}	P(C[5a]C[5a]O[5a])3	121.1350	0.000	1	121.1350	0.000	1	120.3455	13.067	6	119.1613	8.933	12	119.5366	9.155	17	119.5366	9.155	17
727	537	945	0:SP2_SP2_SP3	C[5a]	O[5a]	P	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	P(C[5a]C[5a]O[5a])3	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2){2|H<1>}	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	P(C[5a]C[5a]O[5a])3	120.1876	4.018	5	120.1876	16.146	5	120.3455	13.067	6	119.1613	8.933	12	119.5366	9.155	17	119.5366	9.155	17
727	537	945	0:SP2_SP2_SP3	C[5a]	O[5a]	P	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[6a]2)	O[5a](C[5a]C[5a]P)2	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[6a]2){1|H<1>,1|P<3>}	O[5a](C[5a]C[5a]P)2{2|H<1>}	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2	120.2440	0.116	2	120.2440	0.013	2	120.2440	0.013	2	119.1613	8.933	12	119.5366	9.155	17	119.5366	9.155	17
727	537	945	0:SP2_SP2_SP3	C[5a]	O[5a]	P	3:2:3:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N-3:N-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PNN)	O[5a](C[5a]C[5a]P)2	P(C[5a]C[5a]O[5a])(NCC)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PNN){1|H<1>,1|P<3>}	O[5a](C[5a]C[5a]P)2{2|H<1>}	P(C[5a]C[5a]O[5a])(NCC)2	116.8438	0.475	4	116.8438	0.225	4	116.8438	0.225	4	119.1613	8.933	12	119.5366	9.155	17	119.5366	9.155	17
727	537	945	0:SP2_SP2_SP3	C[5a]	O[5a]	P	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:P-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-4:C[6]-4:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){1|H<1>,3|C<3>}	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2	119.7050	0.000	1	119.7050	0.000	1	119.7050	0.000	1	119.7050	0.000	1	119.5366	9.155	17	119.5366	9.155	17
727	537	945	0:SP2_SP2_SP3	C[5a]	O[5a]	P	3:3:2:	3:3:	3:3:4:	C[5a]-3:P-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(PC[5a]C[5])(O[5a]C[5a])	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	P(C[5a]C[5a]O[5a])2(C[5]C[5]2Fe)	C[5a](C[5a]C[5a]H)(PC[5a]C[5])(O[5a]C[5a]){2|H<1>}	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	P(C[5a]C[5a]O[5a])2(C[5]C[5]2Fe)	118.5060	4.890	2	118.5060	23.916	2	118.5060	23.916	2	118.5060	23.916	2	119.5366	9.155	17	119.5366	9.155	17
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	2:2:1:	3:2:	3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(H)	O[5a](C[5a]N[5a]H)(N[5a]C[5a])	H(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(H){1|C<3>}	O[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>}	H(C[5a]N[5a]O[5a])	121.2772	3.421	5	121.2772	11.703	5	121.2772	11.703	5	121.2772	11.703	5	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)	H(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(H){1|C<3>,1|C<4>}	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	H(C[5a]N[5a]O[5a])	121.5710	0.000	1	121.5710	0.000	1	121.5710	0.000	1	122.6550	1.348	16	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	H(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	H(C[5a]N[5a]O[5a])	121.9015	0.005	2	121.7106	0.037	5	121.7106	0.037	5	122.6550	1.348	16	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	H(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	H(C[5a]N[5a]O[5a])	121.5833	0.115	3	121.7106	0.037	5	121.7106	0.037	5	122.6550	1.348	16	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	H(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	H(C[5a]N[5a]O[5a])	122.3110	0.000	1	122.4483	0.049	4	123.2356	1.229	10	122.6550	1.348	16	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	H(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	H(C[5a]N[5a]O[5a])	122.5300	0.000	1	122.4483	0.049	4	123.2356	1.229	10	122.6550	1.348	16	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	H(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){2|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){3|C<3>}	H(C[5a]N[5a]O[5a])	122.4760	0.345	2	122.4483	0.049	4	123.2356	1.229	10	122.6550	1.348	16	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	H(C[5a]N[5a]O[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<3>,1|N<2>}	H(C[5a]N[5a]O[5a])	123.3690	0.000	1	123.2170	0.046	2	123.2356	1.229	10	122.6550	1.348	16	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	H(C[5a]N[5a]O[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<3>,1|N<3>}	H(C[5a]N[5a]O[5a])	123.0650	0.000	1	123.2170	0.046	2	123.2356	1.229	10	122.6550	1.348	16	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)	H(C[5a]N[5a]O[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H){2|C<3>}	H(C[5a]N[5a]O[5a])	123.2620	0.212	2	123.2620	0.045	2	123.2356	1.229	10	122.6550	1.348	16	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	H(C[5a]N[5a]O[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|N<2>}	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	H(C[5a]N[5a]O[5a])	123.4920	0.000	1	124.8025	3.435	2	123.2356	1.229	10	122.6550	1.348	16	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	H(C[5a]N[5a]O[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|N<3>}	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	H(C[5a]N[5a]O[5a])	126.1130	0.000	1	124.8025	3.435	2	123.2356	1.229	10	122.6550	1.348	16	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:2:	3:	C[5,5a]-3:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(O[5a]N[5a])(H)	O[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])	H(C[5a]C[5,5a]O[5a])	C[5a](C[5,5a]C[5,5a]C[5])(O[5a]N[5a])(H){1|C<4>,1|N<3>,2|H<1>}	O[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]){2|C<4>}	H(C[5a]C[5,5a]O[5a])	125.0930	0.000	1	125.0930	0.000	1	125.0930	0.000	1	123.6771	16.893	22	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:2:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(H)	O[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(H){1|C<4>,1|O<2>,2|H<1>}	O[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]){2|C<4>}	H(C[5a]C[5a,6]O[5a])	124.6030	0.000	1	124.6030	0.000	1	124.6030	0.000	1	123.6771	16.893	22	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]2)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]2)(O[5a]N[5a])(H){1|N<2>,2|C<3>}	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>}	H(C[5a]C[5a]O[5a])	124.4030	0.000	1	119.6497	17.934	3	123.5600	18.506	20	123.6771	16.893	22	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]2)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]2)(O[5a]N[5a])(H){1|O<2>,2|C<3>}	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>}	H(C[5a]C[5a]O[5a])	117.2730	1.406	2	119.6497	17.934	3	123.5600	18.506	20	123.6771	16.893	22	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H){1|C<3>}	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	H(C[5a]C[5a]O[5a])	124.7800	0.000	1	123.0500	15.777	12	123.5600	18.506	20	123.6771	16.893	22	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H){1|C<3>}	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>}	H(C[5a]C[5a]O[5a])	123.3459	4.164	9	123.0500	15.777	12	123.5600	18.506	20	123.6771	16.893	22	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H){1|C<4>}	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	H(C[5a]C[5a]O[5a])	117.5820	0.000	1	123.0500	15.777	12	123.5600	18.506	20	123.6771	16.893	22	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H){1|C<4>}	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){2|C<4>}	H(C[5a]C[5a]O[5a])	124.1250	0.000	1	123.0500	15.777	12	123.5600	18.506	20	123.6771	16.893	22	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(H){1|H<1>,2|C<3>}	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.1860	0.000	1	124.1860	0.000	1	123.5600	18.506	20	123.6771	16.893	22	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(H){1|N<2>}	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>}	H(C[5a]C[5a]O[5a])	124.4370	0.000	1	127.8662	6.216	4	123.5600	18.506	20	123.6771	16.893	22	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(H){1|O<2>}	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>}	H(C[5a]C[5a]O[5a])	129.0093	1.218	3	127.8662	6.216	4	123.5600	18.506	20	123.6771	16.893	22	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<3>,1|O<1>,2|C<4>}	H(C[5a]C[5a,6]O[5a])	124.6640	0.000	1	124.2898	0.125	12	124.2898	0.125	12	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<4>,1|O<1>,2|C<3>}	H(C[5a]C[5a,6]O[5a])	124.5590	0.000	1	124.2898	0.125	12	124.2898	0.125	12	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<3>,1|O<1>,2|C<4>}	H(C[5a]C[5a,6]O[5a])	124.1617	0.121	4	124.2898	0.125	12	124.2898	0.125	12	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<3>,1|O<1>,2|C<4>}	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<4>,1|O<1>,2|C<3>}	H(C[5a]C[5a,6]O[5a])	125.1830	0.000	1	124.2898	0.125	12	124.2898	0.125	12	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<3>,2|C<4>,2|H<1>}	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<3>,1|O<1>,2|C<4>}	H(C[5a]C[5a,6]O[5a])	124.0595	0.100	4	124.2898	0.125	12	124.2898	0.125	12	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<4>,1|H<1>,2|C<3>}	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<4>,1|O<1>,2|C<3>}	H(C[5a]C[5a,6]O[5a])	124.1870	0.000	1	124.2898	0.125	12	124.2898	0.125	12	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(H){1|C<4>,2|C<3>,2|H<1>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a,6]O[5a])	123.7429	0.471	8	123.7429	0.222	8	123.7429	0.222	8	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|C<4>}	H(C[5a]C[5a,6]O[5a])	124.4340	0.000	2	124.4340	0.000	2	124.7364	0.057	14	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6]H)2	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(H){1|C<3>,1|H<1>,2|C<4>}	O[5a](C[5a]C[5a,6]H)2{1|C<3>,1|C<4>}	H(C[5a]C[5a,6]O[5a])	125.1570	0.000	1	125.1570	0.000	1	124.7364	0.057	14	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H){1|C<3>,1|O<1>,2|C<4>}	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){1|C<3>,1|C<4>}	H(C[5a]C[5a,6]O[5a])	124.8040	0.051	4	124.7866	0.041	9	124.7364	0.057	14	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H){1|C<3>,2|C<4>,2|H<1>}	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){1|C<3>,1|C<4>}	H(C[5a]C[5a,6]O[5a])	124.8732	0.197	4	124.7866	0.041	9	124.7364	0.057	14	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H){1|C<3>,2|C<4>,2|H<1>}	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|C<4>}	H(C[5a]C[5a,6]O[5a])	124.3700	0.000	1	124.7866	0.041	9	124.7364	0.057	14	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,3|C<3>}	H(C[5a]C[5a,6]O[5a])	124.5900	0.000	1	124.5900	0.000	1	124.7364	0.057	14	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6]H)2	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H){1|C<3>,1|C<4>,3|H<1>}	O[5a](C[5a]C[5a,6]H)2{1|C<3>,1|C<4>}	H(C[5a]C[5a,6]O[5a])	124.6150	0.000	1	124.6150	0.000	1	124.7364	0.057	14	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:O[5a]-2:H-1:	Se[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5,5a,6]C[6])(O[5a]Se[5,5a])(H)	O[5a](Se[5,5a]C[5,5a,6]O[5])(C[5a]C[5a,6]H)	H(C[5a]C[5a,6]O[5a])	C[5a](C[5a,6]C[5,5a,6]C[6])(O[5a]Se[5,5a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5a](Se[5,5a]C[5,5a,6]O[5])(C[5a]C[5a,6]H){1|C<4>,2|C<3>}	H(C[5a]C[5a,6]O[5a])	120.1450	0.274	2	120.1450	0.075	2	120.1450	0.075	2	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6a]H)2	H(C[5a]C[5a,6a]O[5a])	C[5a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a])(H){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a,6a]H)2{2|C<3>}	H(C[5a]C[5a,6a]O[5a])	115.6480	1.297	3	115.6480	1.681	3	116.3048	1.950	5	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6a]H)2	H(C[5a]C[5a,6a]O[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	O[5a](C[5a]C[5a,6a]H)2{2|C<3>}	H(C[5a]C[5a,6a]O[5a])	117.2900	1.096	2	117.2900	1.201	2	116.3048	1.950	5	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(H)	O[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(H){2|C<4>}	O[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.0675	0.043	2	124.0675	0.002	2	124.0675	0.002	2	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,5a]H)(O[5a]C[5a,5a])(H)	O[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,5a]H)(O[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	O[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	123.6570	0.115	2	123.6570	0.013	2	123.6570	0.013	2	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){2|C<3>}	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	H(C[5a]C[5a]O[5a])	123.9602	0.105	6	123.9602	0.011	6	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){1|C<3>,1|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|O<1>,2|C<4>}	H(C[5a]C[5a]O[5a])	123.8680	0.000	1	121.1882	35.925	5	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){1|C<3>,1|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|C<4>}	H(C[5a]C[5a]O[5a])	110.4680	0.000	1	121.1882	35.925	5	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){1|C<3>,1|O<2>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[5a]C[5a]O[5a])	123.7030	0.000	1	121.1882	35.925	5	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){2|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|H<1>,3|C<4>}	H(C[5a]C[5a]O[5a])	123.9510	0.075	2	121.1882	35.925	5	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(H){4|C<3>}	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H){4|C<3>}	H(C[5a]C[5a]O[5a])	123.8540	0.000	1	123.8540	0.000	1	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	O[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.2057	0.244	3	124.2057	0.059	3	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){1|C<3>,1|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[5a]C[5a]O[5a])	125.2280	0.000	1	123.8960	3.654	34	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){1|C<3>,1|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<4>}	H(C[5a]C[5a]O[5a])	121.3030	4.735	3	123.8960	3.654	34	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<3>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	H(C[5a]C[5a]O[5a])	117.2680	0.000	1	123.8960	3.654	34	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<3>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[5a]C[5a]O[5a])	123.4200	0.270	3	123.8960	3.654	34	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.3390	0.106	2	123.8960	3.654	34	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.5730	0.000	1	123.8960	3.654	34	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[5a]C[5a]O[5a])	124.2210	0.000	1	123.8960	3.654	34	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.3395	0.138	4	123.8960	3.654	34	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.4983	0.203	18	123.8960	3.654	34	123.6457	6.216	49	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	H(C[5a]C[5a]O[5a])	123.5250	0.050	3	123.5250	0.002	3	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]O[5a])	123.5468	0.053	8	123.5218	0.014	13	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>}	H(C[5a]C[5a]O[5a])	123.4200	0.170	2	123.5218	0.014	13	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[5a]C[5a]O[5a])	123.5233	0.217	3	123.5218	0.014	13	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(H){1|O<2>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]O[5a])	123.7760	0.000	1	123.7760	0.000	1	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){4|C<3>}	H(C[5a]C[5a]O[5a])	123.7280	0.001	2	123.7280	0.000	2	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[5a]C[5a]O[5a])	123.6290	0.194	2	123.6290	0.038	2	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[5a]C[5a]O[5a])	124.0905	0.035	2	124.0905	0.001	2	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[5a]C[5a]O[5a])	124.0700	0.000	1	124.0700	0.000	1	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]O[5a])	123.6637	0.164	3	123.6637	0.027	3	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	H(C[5a]C[5a]O[5a])	123.6230	0.000	1	120.8637	18.873	18	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]O[5a])	119.0855	6.474	2	120.8637	18.873	18	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[5a]C[5a]O[5a])	121.5675	4.851	4	120.8637	18.873	18	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[5a]C[5a]O[5a])	120.6802	4.382	11	120.8637	18.873	18	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	H(C[5a]C[5a]O[5a])	121.5108	3.745	4	121.5108	14.022	4	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(H){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]O[5a])	122.8570	0.147	2	122.8570	0.022	2	122.4587	9.020	51	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5,6]C[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5,6]C[5a])(O[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	115.8570	0.000	1	120.1655	37.126	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5,6]C[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5,6]C[5a])(O[5a]C[5a])(H){1|C<4>,2|H<1>,2|O<2>}	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.4740	0.000	1	120.1655	37.126	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){1|Br<1>,1|H<1>,2|C<3>}	O[5a](C[5a]C[5a]H)2{1|Br<1>,1|C<3>}	H(C[5a]C[5a]O[5a])	122.2392	3.289	6	120.7768	16.109	45	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	O[5a](C[5a]C[5a]H)2{2|C<3>}	H(C[5a]C[5a]O[5a])	124.1970	0.088	2	120.7768	16.109	45	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){1|H<1>,1|I<1>,2|C<3>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|I<1>}	H(C[5a]C[5a]O[5a])	115.4765	2.027	2	120.7768	16.109	45	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){1|H<1>,3|C<3>}	O[5a](C[5a]C[5a]H)2{2|C<3>}	H(C[5a]C[5a]O[5a])	121.1453	3.991	26	120.7768	16.109	45	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){1|N<2>,1|N<3>,2|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.5290	0.498	2	120.7768	16.109	45	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){1|N<2>,1|O<2>,2|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.6020	0.000	1	120.7768	16.109	45	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){2|C<3>,2|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	116.4562	0.533	6	120.7768	16.109	45	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]Br)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]H)2{1|Br<1>,1|C<3>}	H(C[5a]C[5a]O[5a])	121.9867	4.780	6	121.9867	22.845	6	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[5a]C[5a]O[5a])	124.6360	0.051	2	124.6360	0.003	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|C<4>}	H(C[5a]C[5a]O[5a])	124.9403	0.858	3	123.8713	6.126	8	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.6810	0.000	1	123.8713	6.126	8	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.7830	0.000	1	123.8713	6.126	8	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.2460	0.000	1	123.8713	6.126	8	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|S<4>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|S<4>}	H(C[5a]C[5a]O[5a])	117.8810	0.000	1	123.8713	6.126	8	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|C<4>}	H(C[5a]C[5a]O[5a])	124.5580	0.000	1	123.8713	6.126	8	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|C<4>}	H(C[5a]C[5a]O[5a])	124.5750	0.000	1	124.5000	0.011	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	H(C[5a]C[5a]O[5a])	124.4250	0.000	1	124.5000	0.011	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|C<4>}	H(C[5a]C[5a]O[5a])	123.6180	0.000	1	123.3120	8.216	62	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]H)2{2|C<3>}	H(C[5a]C[5a]O[5a])	117.9410	0.038	2	123.3120	8.216	62	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|C<4>}	H(C[5a]C[5a]O[5a])	124.2810	0.000	1	123.3120	8.216	62	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]H)2{2|C<4>}	H(C[5a]C[5a]O[5a])	124.2266	0.324	10	123.3120	8.216	62	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.2704	1.240	23	123.3120	8.216	62	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	122.4432	3.869	25	123.3120	8.216	62	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.0012	0.075	4	124.2120	0.139	6	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.6335	0.381	2	124.2120	0.139	6	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	122.9620	0.000	1	124.0615	2.513	46	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<3>,1|C<4>,3|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.4485	0.198	6	124.0615	2.513	46	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<3>,1|O<2>,2|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.3080	0.000	1	124.0615	2.513	46	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<3>,1|O<2>,3|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	117.7095	0.152	2	124.0615	2.513	46	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<4>,1|N<3>,3|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.6015	0.169	2	124.0615	2.513	46	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<4>,1|O<2>,3|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.9389	1.149	12	124.0615	2.513	46	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|C<4>}	H(C[5a]C[5a]O[5a])	124.2170	0.000	1	124.0615	2.513	46	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){2|C<3>,2|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.8530	0.000	1	124.0615	2.513	46	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){2|C<4>,3|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	123.9955	0.506	20	124.0615	2.513	46	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	118.3070	0.000	1	124.3194	2.652	79	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){1|C<3>,1|O<2>,2|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	122.1167	4.663	6	124.3194	2.652	79	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){1|C<4>,1|N<4>,3|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	123.5355	1.319	2	124.3194	2.652	79	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){1|C<4>,1|O<2>,3|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.6172	0.588	68	124.3194	2.652	79	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){2|C<3>,2|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	125.1390	0.000	1	124.3194	2.652	79	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){2|C<4>,3|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.0400	0.000	1	124.3194	2.652	79	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|C<4>}	H(C[5a]C[5a]O[5a])	124.8480	0.000	1	124.8480	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.7450	0.000	1	124.7450	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.6167	0.172	8	123.5988	9.660	71	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.5089	0.159	11	123.5988	9.660	71	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	123.9723	2.481	16	123.5988	9.660	71	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.6000	0.000	1	123.5988	9.660	71	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	H(C[5a]C[5a]O[5a])	122.4261	4.464	8	123.5988	9.660	71	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.3273	0.071	3	123.5988	9.660	71	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|S<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.8030	0.000	1	123.5988	9.660	71	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[5a]C[5a]O[5a])	125.8645	0.541	2	123.5988	9.660	71	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|H<1>,2|N<2>}	H(C[5a]C[5a]O[5a])	112.1820	3.159	2	123.5988	9.660	71	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|C<3>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[5a]C[5a]O[5a])	123.5545	2.666	19	123.5988	9.660	71	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]As)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|As<3>,1|H<1>}	O[5a](C[5a]C[5a]As)(C[5a]C[5a]H){2|H<1>}	H(C[5a]C[5a]O[5a])	113.6057	1.355	3	113.6057	1.836	3	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]B)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|B<3>,1|C<3>}	O[5a](C[5a]C[5a]B)(C[5a]C[5a]H){1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	114.4950	0.000	1	114.4950	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<2>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	H(C[5a]C[5a]O[5a])	115.4100	0.000	1	123.5380	10.362	482	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	123.9268	1.695	6	123.5380	10.362	482	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.6455	0.334	2	123.5380	10.362	482	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	H(C[5a]C[5a]O[5a])	123.5526	3.163	330	123.5380	10.362	482	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	H(C[5a]C[5a]O[5a])	123.5929	3.266	138	123.5380	10.362	482	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|C<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.3398	0.212	4	123.5380	10.362	482	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	111.5190	0.000	1	123.5380	10.362	482	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H){1|N<3>,1|P<4>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.8580	0.000	1	124.7330	0.031	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H){2|C<4>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.6080	0.000	1	124.7330	0.031	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.7820	0.122	2	124.7937	0.003	9	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.7940	0.000	1	124.7937	0.003	9	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H){2|C<4>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.7975	0.049	6	124.7937	0.003	9	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.7560	0.418	4	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.0203	1.902	3	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.6865	0.144	2	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	H(C[5a]C[5a]O[5a])	122.7214	4.443	5	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.3285	0.206	2	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.0680	0.000	1	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|Se<2>,1|C<3>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.5285	0.322	2	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|Se<2>,1|N<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.2820	0.619	2	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	H(C[5a]C[5a]O[5a])	124.6503	0.379	3	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.6760	0.000	1	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]O[5a])	125.0500	0.000	1	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.8800	0.000	1	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.7758	0.276	11	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.6030	0.041	2	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|S<2>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.6420	0.000	1	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	H(C[5a]C[5a]O[5a])	122.6225	5.085	6	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[5a]C[5a]O[5a])	125.2120	0.000	1	124.1729	5.377	48	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.5180	0.000	1	123.6838	12.390	57	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[5a]C[5a]O[5a])	121.2770	4.339	2	123.6838	12.390	57	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	120.6860	6.820	7	123.6838	12.390	57	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	125.7000	0.000	1	123.6838	12.390	57	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.5797	0.398	3	123.6838	12.390	57	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[5a]C[5a]O[5a])	119.7576	6.905	5	123.6838	12.390	57	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.4110	0.396	3	123.6838	12.390	57	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.8213	0.206	17	123.6838	12.390	57	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.7880	0.188	4	123.6838	12.390	57	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.7384	0.513	7	123.6838	12.390	57	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|N<3>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.9530	0.003	2	123.6838	12.390	57	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|O<2>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.6690	0.174	4	123.6838	12.390	57	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Pd<4>,1|C<3>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	H(C[5a]C[5a]O[5a])	123.7770	0.000	1	123.6838	12.390	57	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.6981	0.385	12	124.4217	1.314	56	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.4465	0.213	2	124.4217	1.314	56	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.3847	0.138	3	124.4217	1.314	56	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.4523	1.095	34	124.4217	1.314	56	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<2>}	H(C[5a]C[5a]O[5a])	118.9740	0.000	1	124.4217	1.314	56	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Pt<6>,1|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Pt<6>,1|C<3>,1|H<1>,1|N<2>}	H(C[5a]C[5a]O[5a])	124.5690	0.000	1	124.4217	1.314	56	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[5a]C[5a]O[5a])	124.7560	0.133	3	124.4217	1.314	56	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]Fe)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Fe<8>,1|H<1>}	O[5a](C[5a]C[5a]Fe)(C[5a]C[5a]H){2|H<1>}	H(C[5a]C[5a]O[5a])	124.9590	0.000	1	124.9590	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]H)(C[5a]C[5a]N){2|H<1>}	H(C[5a]C[5a]O[5a])	124.6050	0.000	1	124.6050	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<3>}	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	H(C[5a]C[5a]O[5a])	119.6265	5.272	8	123.5623	10.949	53	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<4>}	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	H(C[5a]C[5a]O[5a])	124.2620	2.281	45	123.5623	10.949	53	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	H(C[5a]C[5a]O[5a])	122.2804	4.320	44	123.9272	16.806	194	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.4110	3.895	137	123.9272	16.806	194	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]H)2{1|H<1>,1|N<3>}	H(C[5a]C[5a]O[5a])	124.6180	0.000	1	123.9272	16.806	194	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Ni<4>,1|H<1>}	O[5a](C[5a]C[5a]H)2{1|Ni<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	124.6270	0.024	2	123.9272	16.806	194	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|H<1>}	O[5a](C[5a]C[5a]H)2{2|H<1>}	H(C[5a]C[5a]O[5a])	124.3358	4.981	10	123.9272	16.806	194	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]Ir)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Ir<7>,1|H<1>}	O[5a](C[5a]C[5a]Ir)(C[5a]C[5a]H){2|H<1>}	H(C[5a]C[5a]O[5a])	124.1170	0.247	2	124.1170	0.061	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]N[5])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]N[5])(C[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[5a]C[5a]O[5a])	124.5320	0.000	1	124.5320	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]Ni)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Ni<4>,1|H<1>}	O[5a](C[5a]C[5a]Ni)(C[5a]C[5a]H){2|H<1>}	H(C[5a]C[5a]O[5a])	124.4340	0.000	1	124.4340	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]Pd)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Pd<4>,1|H<1>}	O[5a](C[5a]C[5a]Pd)(C[5a]C[5a]H){2|H<1>}	H(C[5a]C[5a]O[5a])	124.8900	0.000	1	124.8900	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]Se)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Se<2>,1|H<1>}	O[5a](C[5a]C[5a]Se)(C[5a]C[5a]H){2|H<1>}	H(C[5a]C[5a]O[5a])	124.7880	0.000	1	124.6515	0.037	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]Se)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Se<3>,1|H<1>}	O[5a](C[5a]C[5a]Se)(C[5a]C[5a]H){2|H<1>}	H(C[5a]C[5a]O[5a])	124.5150	0.000	1	124.6515	0.037	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]Sn)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Sn<4>,1|H<1>}	O[5a](C[5a]C[5a]Sn)(C[5a]C[5a]H){2|H<1>}	H(C[5a]C[5a]O[5a])	124.6820	0.000	1	124.6820	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[6,6]C[5a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[6,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	125.4770	0.000	1	125.0560	0.354	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[6,6]C[5a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	O[5a](C[5a]C[6,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	H(C[5a]C[5a]O[5a])	124.6350	0.000	1	125.0560	0.354	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]Nb[3,3x6]C[5a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Nb<7>,1|H<1>}	O[5a](C[5a]Nb[3,3x6]C[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>,3|N<3>}	H(C[5a]C[5a]O[5a])	124.6070	0.000	1	124.6070	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]I)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]I)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]H)2{1|C<3>,1|I<1>}	H(C[5a]C[5a]O[5a])	114.9825	2.174	2	114.9825	4.728	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]N)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]N)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>}	H(C[5a]C[5a]O[5a])	125.0250	0.000	1	125.0250	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]N)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]N)(O[5a]C[5a])(H){2|H<1>}	O[5a](C[5a]C[5a]H)2{1|H<1>,1|N<3>}	H(C[5a]C[5a]O[5a])	125.1690	0.000	1	125.1690	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]Ni)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]Ni)(O[5a]C[5a])(H){2|H<1>}	O[5a](C[5a]C[5a]H)2{1|Ni<4>,1|H<1>}	H(C[5a]C[5a]O[5a])	123.3505	0.153	2	123.3505	0.024	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(H){1|C<3>,1|S<2>}	O[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<3>,1|S<4>}	H(C[5a]C[5a]O[5a])	124.5830	0.000	1	124.5830	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(H){1|C<4>,2|C<3>}	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	H(C[5a]C[5a]O[5a])	123.4917	4.886	3	123.4917	23.869	3	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H){1|C<4>}	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	H(C[5a]C[5a]O[5a])	117.1750	0.000	1	118.5960	4.038	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H){1|C<4>}	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>}	H(C[5a]C[5a]O[5a])	120.0170	0.000	1	118.5960	4.038	2	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	H(C[5a]C[5a]O[5a])	125.9665	0.206	2	126.0140	0.028	3	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	H(C[5a]C[5a]O[5a])	126.1090	0.000	1	126.0140	0.028	3	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]C[6])(O[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>}	H(C[5a]C[5a]O[5a])	113.0650	0.000	1	113.0650	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(H){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	H(C[5a]C[5a]O[5a])	125.9950	0.000	1	125.9950	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	951	0:SP2_SP-NON_SP2	C[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	H(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(H){1|C<4>}	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,2|H<1>}	H(C[5a]C[5a]O[5a])	125.9950	0.000	1	125.9950	0.000	1	123.6027	10.723	1267	123.5507	10.427	1412	123.5350	10.436	1455	123.5350	10.436	1455
727	537	952	0:SP2_SP2_SP3	C[5a]	O[5a]	S	3:2:4:	3:2:	3:1:1:1:	C[5a]-3:O[5a]-2:S-4:	C[5a]-3:N[5a]-2:	C[5a]-3:F-1:O-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(SFOO)	O[5a](C[5a]C[5a]S)(N[5a]C[5a])	S(C[5a]C[5a]O[5a])(F)(O)2	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(SFOO){1|C<3>}	O[5a](C[5a]C[5a]S)(N[5a]C[5a]){1|C<3>,1|H<1>}	S(C[5a]C[5a]O[5a])(F)(O)2	117.2273	0.541	3	117.2273	0.293	3	117.2273	0.293	3	117.2273	0.293	3	116.4890	2.376	4	116.4890	2.376	4
727	537	952	0:SP2_SP2_SP3	C[5a]	O[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:O[5a]-2:S-4:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O-1:O-1:	C[5a](C[5a]C[5a,6a]Br)(O[5a]C[5a,6a])(SC[6a]OO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	S(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)2	C[5a](C[5a]C[5a,6a]Br)(O[5a]C[5a,6a])(SC[6a]OO){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|Br<1>,1|H<1>,2|C<3>}	S(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)2	114.2740	0.000	1	114.2740	0.000	1	114.2740	0.000	1	114.2740	0.000	1	116.4890	2.376	4	116.4890	2.376	4
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:2:	3:1:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:H-1:H-1:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N(C[5a]N[5a]O[5a])(H)2	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|C<3>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	N(C[5a]N[5a]O[5a])(H)2	117.8132	0.521	4	118.0007	0.289	7	118.0007	0.289	7	118.0007	0.289	7	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:2:	3:1:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:H-1:H-1:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N(C[5a]N[5a]O[5a])(H)2	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|N<2>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>}	N(C[5a]N[5a]O[5a])(H)2	118.5615	0.115	2	118.0007	0.289	7	118.0007	0.289	7	118.0007	0.289	7	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:2:	3:1:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:H-1:H-1:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N(C[5a]N[5a]O[5a])(H)2	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|N<3>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|N<3>}	N(C[5a]N[5a]O[5a])(H)2	117.6290	0.000	1	118.0007	0.289	7	118.0007	0.289	7	118.0007	0.289	7	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:2:	3:4:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-4:H-1:	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC[6]H)	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N(C[5a]N[5a]O[5a])(C[6]C[6]2H)(H)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC[6]H){1|C<3>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	N(C[5a]N[5a]O[5a])(C[6]C[6]2H)(H)	118.1070	0.000	1	118.1070	0.000	1	118.1070	0.000	1	118.1070	0.000	1	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:1:1:	N[5a]-2:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NHH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	N(C[5a]N[5a]O[5a])(H)2	116.2830	0.000	1	116.2830	0.000	1	116.2830	0.000	1	118.1600	1.716	12	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:1:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(H)2	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|H<1>}	N(C[5a]N[5a]O[5a])(H)2	118.4050	0.000	1	118.4050	0.000	1	118.3306	1.503	11	118.1600	1.716	12	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:1:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(H)2	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	N(C[5a]N[5a]O[5a])(H)2	116.8320	0.000	1	116.8640	0.002	2	118.3306	1.503	11	118.1600	1.716	12	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:1:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(H)2	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH){2|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){3|C<3>}	N(C[5a]N[5a]O[5a])(H)2	116.8960	0.000	1	116.8640	0.002	2	118.3306	1.503	11	118.1600	1.716	12	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:1:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	N(C[5a]N[5a]O[5a])(H)2	118.4093	0.649	3	118.4093	0.421	3	118.3306	1.503	11	118.1600	1.716	12	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:1:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){2|C<3>}	N(C[5a]N[5a]O[5a])(H)2	118.3143	0.734	3	118.3143	0.538	3	118.3306	1.503	11	118.1600	1.716	12	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:1:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(H)2	119.6665	2.283	2	119.6665	5.213	2	118.3306	1.503	11	118.1600	1.716	12	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(CNN)(H)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	N(C[5a]N[5a]O[5a])(CNN)(H)	113.1440	0.000	1	113.1440	0.000	1	113.1440	0.000	1	119.3810	52.551	5	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:H-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	115.6220	0.000	1	115.6220	0.000	1	120.9402	53.860	4	119.3810	52.551	5	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:H-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H){1|C<3>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	118.4635	3.939	2	118.4635	15.518	2	120.9402	53.860	4	119.3810	52.551	5	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:3:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:H-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H)	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H){1|H<1>}	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	131.2120	0.000	1	131.2120	0.000	1	120.9402	53.860	4	119.3810	52.551	5	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:4:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:H-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(CH3)(H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	N(C[5a]N[5a]O[5a])(CH3)(H)	118.0820	0.000	1	118.0820	0.000	1	118.0820	0.000	1	118.0820	0.000	1	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:4:4:	N[5a]-2:O[5a]-2:N-3:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C-4:C-4:	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(NCC)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(CH3)2	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(NCC){1|C<3>,1|N<3>}	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<3>}	N(C[5a]N[5a]O[5a])(CH3)2	116.2330	0.000	1	116.2330	0.000	1	116.2330	0.000	1	116.1182	0.330	6	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:4:4:	N[5a]-2:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:C-4:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(CC[6a]HH)(CCHH)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	N(C[5a]N[5a]O[5a])(CC[6a]HH)(CCHH)	116.3920	0.000	1	116.3920	0.000	1	116.0952	0.408	5	116.1182	0.330	6	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:4:4:	N[5a]-2:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:C-4:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(CH3)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){1|C<3>,1|N<2>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<2>}	N(C[5a]N[5a]O[5a])(CH3)2	115.4840	0.376	2	116.0210	0.508	4	116.0952	0.408	5	116.1182	0.330	6	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	2:2:3:	3:3:	3:4:4:	N[5a]-2:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:C-4:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(CH3)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|Br<1>,2|C<3>}	N(C[5a]N[5a]O[5a])(CH3)2	116.5580	0.478	2	116.0210	0.508	4	116.0952	0.408	5	116.1182	0.330	6	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:2:	3:1:1:	C[5a,6a]-3:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:H-1:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(NHH)	O[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])	N(C[5a]C[5a,6a]O[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(NHH){1|N<3>,2|C<3>}	O[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]){2|C<3>}	N(C[5a]C[5a,6a]O[5a])(H)2	115.7665	0.310	4	115.7665	0.096	4	115.7665	0.096	4	116.0939	0.615	8	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:2:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:H-1:H-1:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHH)	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHH){1|C<4>}	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){1|C<2>,1|C<4>}	N(C[5a]C[5a]O[5a])(H)2	117.5710	0.000	1	117.2580	0.196	2	116.4213	1.054	4	116.0939	0.615	8	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:2:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:H-1:H-1:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHH)	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHH){1|C<4>}	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,1|C<4>}	N(C[5a]C[5a]O[5a])(H)2	116.9450	0.000	1	117.2580	0.196	2	116.4213	1.054	4	116.0939	0.615	8	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:2:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:H-1:H-1:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(NHH)	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(NHH){1|C<3>}	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,1|H<1>}	N(C[5a]C[5a]O[5a])(H)2	115.5845	0.405	2	115.5845	0.164	2	116.4213	1.054	4	116.0939	0.615	8	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:2:	3:3:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:H-1:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC[6a]H)	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC[6a]H){1|C<4>}	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){2|C<4>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	118.8945	0.132	2	119.1480	0.202	3	119.1480	0.202	3	119.1480	0.202	3	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:2:	3:3:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:H-1:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC[6a]H)	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC[6a]H){1|H<1>}	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,1|H<1>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	119.6550	0.000	1	119.1480	0.202	3	119.1480	0.202	3	119.1480	0.202	3	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:2:	3:4:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C-4:H-1:	C[5a](C[5a]C[5a]C[5])(O[5a]N[5a])(NCH)	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N(C[5a]C[5a]O[5a])(CCHH)(H)	C[5a](C[5a]C[5a]C[5])(O[5a]N[5a])(NCH){1|N<3>,3|C<3>}	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,1|C<4>}	N(C[5a]C[5a]O[5a])(CCHH)(H)	117.3160	0.000	2	117.3160	0.000	2	117.3160	0.000	2	116.9130	0.487	3	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:2:	3:4:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:S-4:H-1:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHS)	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N(C[5a]C[5a]O[5a])(SC[6a]OO)(H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHS){1|C<4>}	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){2|C<4>}	N(C[5a]C[5a]O[5a])(SC[6a]OO)(H)	116.1070	0.000	1	116.1070	0.000	1	116.1070	0.000	1	116.9130	0.487	3	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N(C[5a]C[5a]O[5a])(H)2	116.0340	0.000	1	116.0125	0.001	2	114.9984	1.214	5	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){2|C<2>,2|C<3>}	N(C[5a]C[5a]O[5a])(H)2	115.9910	0.000	1	116.0125	0.001	2	114.9984	1.214	5	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH){1|N<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N(C[5a]C[5a]O[5a])(H)2	115.1170	0.000	1	114.3223	0.713	3	114.9984	1.214	5	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N(C[5a]C[5a]O[5a])(H)2	113.9250	0.692	2	114.3223	0.713	3	114.9984	1.214	5	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O-1:O-1:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NOO)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(O)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NOO){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N){4|C<3>}	N(C[5a]C[5a]O[5a])(O)2	114.2710	0.000	1	114.2710	0.000	1	114.9133	0.293	4	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O-1:O-1:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NOO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(O)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NOO){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N(C[5a]C[5a]O[5a])(O)2	115.1273	0.406	3	115.1273	0.165	3	114.9133	0.293	4	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NHH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NHH){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	N(C[5a]C[5a]O[5a])(H)2	117.2100	0.322	2	117.2100	0.104	2	116.6745	0.967	11	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NHH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NHH){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){1|C<2>,1|C<4>,2|C<3>}	N(C[5a]C[5a]O[5a])(H)2	116.0968	0.983	6	116.0968	0.966	6	116.6745	0.967	11	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NHH)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NHH){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){1|C<2>,2|C<3>}	N(C[5a]C[5a]O[5a])(H)2	117.2680	0.020	2	117.2680	0.000	2	116.6745	0.967	11	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NHH)	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NHH){1|C<4>}	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]N){1|C<2>,1|H<1>,2|C<4>}	N(C[5a]C[5a]O[5a])(H)2	117.8820	0.000	1	117.8820	0.000	1	116.6745	0.967	11	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(O)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|C<3>,1|N<2>,2|H<1>}	N(C[5a]C[5a]O[5a])(O)2	116.6063	0.189	3	116.6063	0.036	3	115.9856	0.352	72	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(O)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<2>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	N(C[5a]C[5a]O[5a])(O)2	115.8910	0.000	1	115.9536	0.366	62	115.9856	0.352	72	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(O)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	N(C[5a]C[5a]O[5a])(O)2	115.9214	0.604	57	115.9536	0.366	62	115.9856	0.352	72	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(O)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	N(C[5a]C[5a]O[5a])(O)2	116.4270	0.553	4	115.9536	0.366	62	115.9856	0.352	72	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(O)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]N){1|C<4>,1|N<3>,3|H<1>}	N(C[5a]C[5a]O[5a])(O)2	116.1780	0.628	2	116.1780	0.394	2	115.9856	0.352	72	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(O)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N){1|C<4>,1|O<2>,3|H<1>}	N(C[5a]C[5a]O[5a])(O)2	115.4390	0.000	1	115.9330	0.226	5	115.9856	0.352	72	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:O-1:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(O)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N){2|C<3>,3|H<1>}	N(C[5a]C[5a]O[5a])(O)2	116.0565	0.446	4	115.9330	0.226	5	115.9856	0.352	72	115.9677	0.605	92	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(NCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CCO)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(NCH){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	N(C[5a]C[5a]O[5a])(CCO)(H)	111.9660	0.000	1	111.9660	0.000	1	111.9660	0.000	1	119.0616	8.953	12	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NC[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NC[6a]H){1|C<3>,1|O<2>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|O<1>,1|O<2>,2|C<3>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	119.8070	0.000	1	119.8070	0.000	1	119.8070	0.000	1	119.0616	8.953	12	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCH)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(COO)(H)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCH){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){3|C<3>}	N(C[5a]C[5a]O[5a])(COO)(H)	116.5520	0.000	1	116.5520	0.000	1	116.8320	0.157	2	119.0616	8.953	12	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:H-1:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NCH)	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CC[5a]O)(H)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NCH){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|S<2>}	N(C[5a]C[5a]O[5a])(CC[5a]O)(H)	117.1120	0.000	1	117.1120	0.000	1	116.8320	0.157	2	119.0616	8.953	12	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:H-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	121.1035	1.184	2	120.5090	3.726	7	120.4128	3.268	8	119.0616	8.953	12	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:H-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|H<1>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	120.2712	2.234	5	120.5090	3.726	7	120.4128	3.268	8	119.0616	8.953	12	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:H-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	119.7390	0.000	1	119.7390	0.000	1	120.4128	3.268	8	119.0616	8.953	12	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:3:4:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C-4:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]C)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]C){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|C<4>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)	116.6840	0.000	1	116.6840	0.000	1	116.6840	0.000	1	116.7685	0.014	2	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:3:4:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:S-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NC[6a]S)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SCOO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NC[6a]S){1|C<3>,1|C<4>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){1|C<4>,1|H<1>,2|C<3>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SCOO)	116.8530	0.000	1	116.8530	0.000	1	116.8530	0.000	1	116.7685	0.014	2	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:H-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NCH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CC3)(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NCH){2|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){4|C<3>}	N(C[5a]C[5a]O[5a])(CC3)(H)	118.4475	0.166	2	118.4475	0.028	2	119.4137	2.814	3	119.4137	2.814	3	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:H-1:	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NCH)	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CC3)(H)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NCH){1|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N){1|N<3>,2|C<3>}	N(C[5a]C[5a]O[5a])(CC3)(H)	121.3460	0.000	1	121.3460	0.000	1	119.4137	2.814	3	119.4137	2.814	3	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:3:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:C-3:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NCC)	O[5a](C[5a]C[5a]N)(C[5a]C[5a]O)	N(C[5a]C[5a]O[5a])(CC3)(CCO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NCC){1|H<1>,1|O<2>}	O[5a](C[5a]C[5a]N)(C[5a]C[5a]O){1|C<3>,1|H<1>}	N(C[5a]C[5a]O[5a])(CC3)(CCO)	115.5220	0.000	1	115.5220	0.000	1	115.5220	0.000	1	115.5220	0.000	1	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:C-4:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CCHH)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NCC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<2>,3|C<3>}	N(C[5a]C[5a]O[5a])(CCHH)2	114.5620	0.000	1	114.7480	0.069	2	114.3713	0.403	4	116.0551	1.917	14	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:C-4:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CCHH)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NCC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){2|C<2>,2|C<3>}	N(C[5a]C[5a]O[5a])(CCHH)2	114.9340	0.000	1	114.7480	0.069	2	114.3713	0.403	4	116.0551	1.917	14	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-4:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CCHH)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NCC){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N(C[5a]C[5a]O[5a])(CCHH)2	113.9945	0.756	2	113.9945	0.571	2	114.3713	0.403	4	116.0551	1.917	14	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:C-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CCHH)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCC){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	N(C[5a]C[5a]O[5a])(CCHH)2	115.7690	0.000	1	115.7690	0.000	1	115.7690	0.000	1	116.0551	1.917	14	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:S-4:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CCHH)(SCOO)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS){2|C<3>,2|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	N(C[5a]C[5a]O[5a])(CCHH)(SCOO)	116.6285	0.173	2	116.6285	0.030	2	116.2177	0.521	3	116.0551	1.917	14	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:S-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCS)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CCHH)(SCOO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCS){1|C<4>,1|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	N(C[5a]C[5a]O[5a])(CCHH)(SCOO)	115.3960	0.000	1	115.3960	0.000	1	116.2177	0.521	3	116.0551	1.917	14	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:S-4:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6]S)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(C[6]C[6]2H)(SCOO)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6]S){2|C<3>,2|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	N(C[5a]C[5a]O[5a])(C[6]C[6]2H)(SCOO)	116.7400	0.018	2	116.7400	0.000	2	116.7400	0.000	2	116.0551	1.917	14	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S-4:C-4:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(SCOO)(CH3)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS){2|C<3>,2|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	N(C[5a]C[5a]O[5a])(SCOO)(CH3)	116.4430	0.072	2	116.4430	0.005	2	116.9180	0.679	3	116.0551	1.917	14	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S-4:C-4:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCS)	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(SCOO)(CH3)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCS){3|C<3>}	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N){3|C<3>}	N(C[5a]C[5a]O[5a])(SCOO)(CH3)	117.8680	0.000	1	117.8680	0.000	1	116.9180	0.679	3	116.0551	1.917	14	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP2	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S-4:S-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NSS)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(SC[6a]OO)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NSS){2|H<1>}	O[5a](C[5a]C[5a]H)(C[5a]C[5a]N){2|H<1>}	N(C[5a]C[5a]O[5a])(SC[6a]OO)2	118.6310	0.000	1	118.6310	0.000	1	118.6310	0.000	1	116.0551	1.917	14	116.7088	3.953	170	116.7088	3.953	170
727	537	956	0:SP2_SP2_SP3	C[5a]	O[5a]	N	2:2:3:	3:3:	3:1:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){2|C<3>}	N(C[5a]N[5a]O[5a])(H)2	117.3865	0.383	2	117.3865	0.146	2	117.2010	0.176	3	117.2010	0.176	3	116.2966	1.530	17	116.2966	1.530	17
727	537	956	0:SP2_SP2_SP3	C[5a]	O[5a]	N	2:2:3:	3:3:	3:1:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<4>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(H)2	116.8300	0.000	1	116.8300	0.000	1	117.2010	0.176	3	117.2010	0.176	3	116.2966	1.530	17	116.2966	1.530	17
727	537	956	0:SP2_SP2_SP3	C[5a]	O[5a]	N	2:2:3:	3:3:	3:4:1:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:H-1:	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N(C[5a]N[5a]O[5a])(CC[6a]HP)(H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){2|C<3>}	N(C[5a]N[5a]O[5a])(CC[6a]HP)(H)	117.4040	0.515	2	117.4040	0.265	2	117.4040	0.265	2	117.4040	0.265	2	116.2966	1.530	17	116.2966	1.530	17
727	537	956	0:SP2_SP2_SP3	C[5a]	O[5a]	N	3:2:3:	3:2:	3:4:1:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:S-4:H-1:	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHS)	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N(C[5a]C[5a]O[5a])(SC[6a]OO)(H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHS){1|C<4>}	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){2|C<4>}	N(C[5a]C[5a]O[5a])(SC[6a]OO)(H)	115.5020	1.063	4	115.5020	1.129	4	115.5020	1.129	4	115.5020	1.129	4	116.2966	1.530	17	116.2966	1.530	17
727	537	956	0:SP2_SP2_SP3	C[5a]	O[5a]	N	3:2:3:	3:2:	3:4:4:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:S-4:C-4:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(NCS)	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N(C[5a]C[5a]O[5a])(SC[6a]OO)(CH3)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(NCS){1|C<3>}	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,1|H<1>}	N(C[5a]C[5a]O[5a])(SC[6a]OO)(CH3)	114.1160	0.000	1	114.1160	0.000	1	114.1160	0.000	1	114.1160	0.000	1	116.2966	1.530	17	116.2966	1.530	17
727	537	956	0:SP2_SP2_SP3	C[5a]	O[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:H-1:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N(C[5a]C[5a]O[5a])(H)2	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	116.2966	1.530	17	116.2966	1.530	17
727	537	956	0:SP2_SP2_SP3	C[5a]	O[5a]	N	3:2:3:	3:3:	3:3:4:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:S-4:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6a]S)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SCOO)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6a]S){2|C<3>,2|C<4>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SCOO)	116.7725	0.240	2	116.7725	0.057	2	116.7725	0.057	2	116.7725	0.057	2	116.2966	1.530	17	116.2966	1.530	17
727	537	956	0:SP2_SP2_SP3	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:1:	C[5a]-3:O[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:S-4:H-1:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHS)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(SC[6a]OO)(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHS){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N){1|C<4>,3|C<3>}	N(C[5a]C[5a]O[5a])(SC[6a]OO)(H)	115.3610	0.000	1	115.3610	0.000	1	115.3610	0.000	1	115.3610	0.000	1	116.2966	1.530	17	116.2966	1.530	17
727	537	956	0:SP2_SP2_SP3	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:C-4:	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCC)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(CCHH)(CC3)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCC){4|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){4|C<3>}	N(C[5a]C[5a]O[5a])(CCHH)(CC3)	117.7500	0.000	1	117.7500	0.000	1	117.7500	0.000	1	117.0300	1.050	3	116.2966	1.530	17	116.2966	1.530	17
727	537	956	0:SP2_SP2_SP3	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S-4:C-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCS)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(SC[6a]OO)(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCS){2|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N(C[5a]C[5a]O[5a])(SC[6a]OO)(CH3)	115.8570	0.000	1	115.8570	0.000	1	116.6700	1.322	2	117.0300	1.050	3	116.2966	1.530	17	116.2966	1.530	17
727	537	956	0:SP2_SP2_SP3	C[5a]	O[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S-4:C-4:	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCS)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	N(C[5a]C[5a]O[5a])(SCOO)(CH3)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCS){3|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){3|C<3>}	N(C[5a]C[5a]O[5a])(SCOO)(CH3)	117.4830	0.000	1	117.4830	0.000	1	116.6700	1.322	2	117.0300	1.050	3	116.2966	1.530	17	116.2966	1.530	17
727	537	977	0:SP2_SP-NON_SP2	C[5a]	O[5a]	S	2:2:1:	3:3:	3:	N[5a]-2:O[5a]-2:S-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(S)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(S){1|C<4>}	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	S(C[5a]N[5a]O[5a])	123.1980	0.000	1	123.1980	0.000	1	123.1980	0.000	1	123.1980	0.000	1	123.1980	0.000	1	123.1980	0.000	1
727	537	983	0:SP2_SP1_SP2	C[5a]	O[5a]	C	2:2:2:	3:3:	3:2:	N[5a]-2:O[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C(C[5a]N[5a]O[5a])(CSi)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5a]N[5a]O[5a])(CSi)	116.5660	0.000	1	116.5660	0.000	1	116.5660	0.000	1	116.5660	0.000	1	116.8507	1.404	26	116.8507	1.404	26
727	537	983	0:SP2_SP1_SP2	C[5a]	O[5a]	C	3:2:2:	3:3:	3:1:	C[5a]-3:O[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(CN)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(N)	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(CN){1|C<4>,1|H<1>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(N)	116.3145	0.221	2	116.3145	0.049	2	116.6260	0.316	3	116.7063	0.764	19	116.8507	1.404	26	116.8507	1.404	26
727	537	983	0:SP2_SP1_SP2	C[5a]	O[5a]	C	3:2:2:	3:3:	3:1:	C[5a]-3:O[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CN)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(N)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CN){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]O[5a])(N)	117.2490	0.000	1	117.2490	0.000	1	116.6260	0.316	3	116.7063	0.764	19	116.8507	1.404	26	116.8507	1.404	26
727	537	983	0:SP2_SP1_SP2	C[5a]	O[5a]	C	3:2:2:	3:3:	3:1:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CN)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(N)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CN){2|C<3>}	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<2>,3|C<3>}	C(C[5a]C[5a]O[5a])(N)	117.1700	0.000	1	117.1700	0.000	1	116.7213	0.873	16	116.7063	0.764	19	116.8507	1.404	26	116.8507	1.404	26
727	537	983	0:SP2_SP1_SP2	C[5a]	O[5a]	C	3:2:2:	3:3:	3:1:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a]O[5a])(N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN){2|H<1>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C(C[5a]C[5a]O[5a])(N)	116.4250	0.000	1	116.4250	0.000	1	116.7213	0.873	16	116.7063	0.764	19	116.8507	1.404	26	116.8507	1.404	26
727	537	983	0:SP2_SP1_SP2	C[5a]	O[5a]	C	3:2:2:	3:3:	3:1:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(N)	116.5770	1.085	3	116.5770	1.178	3	116.7213	0.873	16	116.7063	0.764	19	116.8507	1.404	26	116.8507	1.404	26
727	537	983	0:SP2_SP1_SP2	C[5a]	O[5a]	C	3:2:2:	3:3:	3:1:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){2|H<1>,2|N<2>}	C(C[5a]C[5a]O[5a])(N)	116.2396	0.560	8	116.2396	0.314	8	116.7213	0.873	16	116.7063	0.764	19	116.8507	1.404	26	116.8507	1.404	26
727	537	983	0:SP2_SP1_SP2	C[5a]	O[5a]	C	3:2:2:	3:3:	3:1:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CN)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(N)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CN){1|C<3>}	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(N)	118.0993	0.568	3	118.0993	0.323	3	116.7213	0.873	16	116.7063	0.764	19	116.8507	1.404	26	116.8507	1.404	26
727	537	983	0:SP2_SP1_SP2	C[5a]	O[5a]	C	3:2:2:	3:3:	3:2:	C[5a]-3:O[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[6a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a])	116.5180	0.000	1	116.5180	0.000	1	116.5180	0.000	1	117.3557	3.867	6	116.8507	1.404	26	116.8507	1.404	26
727	537	983	0:SP2_SP1_SP2	C[5a]	O[5a]	C	3:2:2:	3:3:	3:2:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CSi)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC){1|C<3>,1|H<1>}	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(CSi)	115.1810	0.000	1	115.1810	0.000	1	117.5232	4.623	5	117.3557	3.867	6	116.8507	1.404	26	116.8507	1.404	26
727	537	983	0:SP2_SP1_SP2	C[5a]	O[5a]	C	3:2:2:	3:3:	3:2:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC)	O[5a](C[5a]C[5a]B[5])(C[5a]C[5a]C)	C(C[5a]C[5a]O[5a])(CC[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC){1|B<3>,1|H<1>}	O[5a](C[5a]C[5a]B[5])(C[5a]C[5a]C){2|H<1>,2|O<2>}	C(C[5a]C[5a]O[5a])(CC[5a])	116.0720	0.000	1	116.0720	0.000	1	117.5232	4.623	5	117.3557	3.867	6	116.8507	1.404	26	116.8507	1.404	26
727	537	983	0:SP2_SP1_SP2	C[5a]	O[5a]	C	3:2:2:	3:3:	3:2:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C(C[5a]C[5a]O[5a])(CC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC){1|H<1>,1|N<3>}	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C(C[5a]C[5a]O[5a])(CC)	116.8770	0.000	1	116.8770	0.000	1	117.5232	4.623	5	117.3557	3.867	6	116.8507	1.404	26	116.8507	1.404	26
727	537	983	0:SP2_SP1_SP2	C[5a]	O[5a]	C	3:2:2:	3:3:	3:2:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC)	O[5a](C[5a]C[5a]C)2	C(C[5a]C[5a]O[5a])(CFe)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC){1|C<2>,1|H<1>}	O[5a](C[5a]C[5a]C)2{2|H<1>}	C(C[5a]C[5a]O[5a])(CFe)	119.7430	0.793	2	119.7430	0.629	2	117.5232	4.623	5	117.3557	3.867	6	116.8507	1.404	26	116.8507	1.404	26
727	537	992	0:SP2_SP2_SP3	C[5a]	O[5a]	P	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:O[5a]-2:P-4:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2O){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){1|H<1>,3|C<3>}	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(O)	115.1220	0.000	1	115.1220	0.000	1	115.1220	0.000	1	113.4764	14.115	9	115.9460	12.228	23	115.9460	12.228	23
727	537	992	0:SP2_SP2_SP3	C[5a]	O[5a]	P	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:O[5a]-2:P-4:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2S)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2S){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){1|H<1>,3|C<3>}	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(S)	110.6184	0.844	5	110.6184	0.713	5	110.6184	0.713	5	113.4764	14.115	9	115.9460	12.228	23	115.9460	12.228	23
727	537	992	0:SP2_SP2_SP3	C[5a]	O[5a]	P	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:O[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2O)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	P(C[5a]C[5a]O[5a])3(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2O){2|H<1>}	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	P(C[5a]C[5a]O[5a])3(O)	117.6913	2.571	3	117.6913	6.611	3	117.6913	6.611	3	113.4764	14.115	9	115.9460	12.228	23	115.9460	12.228	23
727	537	992	0:SP2_SP2_SP3	C[5a]	O[5a]	P	3:2:4:	3:3:	3:3:3:4:	C[5a]-3:O[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2C)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	P(C[5a]C[5a]O[5a])3(CCHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2C){2|H<1>}	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	P(C[5a]C[5a]O[5a])3(CCHH)	117.3340	1.068	3	117.3340	1.141	3	117.3340	1.141	3	117.3340	1.141	3	115.9460	12.228	23	115.9460	12.228	23
727	537	992	0:SP2_SP2_SP3	C[5a]	O[5a]	P	3:2:4:	3:3:	3:4:4:1:	C[5a]-3:O[5a]-2:P-4:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-4:C[6]-4:S-1:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2S)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2(S)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2S){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){1|H<1>,3|C<3>}	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2(S)	112.7270	0.000	1	112.7270	0.000	1	112.7270	0.000	1	112.7270	0.000	1	115.9460	12.228	23	115.9460	12.228	23
727	537	992	0:SP2_SP2_SP3	C[5a]	O[5a]	P	4:3:2:	3:3:	3:3:3:1:	P-4:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:O-1:	C[5a](PC[5a]C[6a]O)(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]P)2	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(O)	C[5a](PC[5a]C[6a]O)(C[5a]C[5a]H)(O[5a]C[5a]){1|H<1>,1|P<4>}	O[5a](C[5a]C[5a]P)2{2|H<1>}	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(O)	116.7502	1.157	6	116.7502	1.339	6	116.7502	1.339	6	116.7502	1.339	6	115.9460	12.228	23	115.9460	12.228	23
727	537	992	0:SP2_SP2_SP3	C[5a]	O[5a]	P	4:3:2:	3:3:	3:3:3:4:	P-4:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a](PC[5a]C[6a]C)(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](PC[5a]C[6a]C)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>}	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(CCHH)	120.0600	1.225	4	120.0600	1.500	4	120.0600	1.500	4	120.0600	1.500	4	115.9460	12.228	23	115.9460	12.228	23
727	538	643	0:SP2_SP2_SPD5	C[5,6a]	Ge[5,5]	C[6a]	5:3:3:	5:3:3:2:2:	3:3:1:	Ge[5,5]-5:C[5,6a]-3:C[6a]-3:	Ge[5,5]-5:C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[6a](C[5,6a]C[5,6a]Ge[5,5])(C[6a]C[6a]H)(H)	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<4>,5|C<3>}	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|H<1>,6|C<4>,8|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[5,5])(C[6a]C[6a]H)(H){1|Ge<5>,2|C<3>,2|C<4>,2|O<2>}	126.6030	0.189	4	126.6030	0.036	4	126.6030	0.036	4	126.6030	0.036	4	126.6030	0.036	4	126.6030	0.036	4
727	538	727	5:SP2_SP2_SPD5	C[5,6a]	Ge[5,5]	C[5,6a]	5:3:3:	5:3:3:2:2:	3:3:4:	Ge[5,5]-5:C[5,6a]-3:C[6a]-3:	Ge[5,5]-5:C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<4>,5|C<3>}	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|H<1>,6|C<4>,8|C<3>}	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|Ge<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	114.5512	0.735	4	114.5512	0.540	4	114.5512	0.540	4	114.5512	0.540	4	114.5512	0.540	4	114.5512	0.540	4
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a]-3:C[5,5]-3:B[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-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])	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)	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>}	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,4|C<3>}	129.3965	0.404	4	129.3965	0.163	4	129.3965	0.163	4	129.3965	0.163	4	129.3965	0.163	4	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-2:	C[5,6a]-3:C[6a]-3: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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	132.5930	0.000	1	132.5930	0.000	1	132.5930	0.000	1	129.6275	17.588	2	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<2>,1|S<2>,2|C<3>}	126.6620	0.000	1	126.6620	0.000	1	126.6620	0.000	1	129.6275	17.588	2	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	127.5360	0.000	1	127.5360	0.000	1	127.5360	0.000	1	129.4792	10.242	9	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]Se[5]N)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	132.6280	0.000	1	132.6280	0.000	1	130.6655	7.703	2	129.4792	10.242	9	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]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])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	128.7030	0.000	1	128.7030	0.000	1	130.6655	7.703	2	129.4792	10.242	9	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.8980	0.000	1	129.8980	0.000	1	128.8620	2.147	2	129.4792	10.242	9	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.8260	0.000	1	127.8260	0.000	1	128.8620	2.147	2	129.4792	10.242	9	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:H-1:	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])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|N<3>,2|H<1>,5|C<3>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	125.2700	0.000	1	125.6775	0.332	2	129.6805	21.523	4	129.4792	10.242	9	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:H-1:	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])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|N<3>,2|H<1>,5|C<3>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	126.0850	0.000	1	125.6775	0.332	2	129.6805	21.523	4	129.4792	10.242	9	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:H-1:	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])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.9480	0.000	1	133.6835	0.140	2	129.6805	21.523	4	129.4792	10.242	9	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:H-1:	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])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|B<4>,3|C<3>,3|H<1>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.4190	0.000	1	133.6835	0.140	2	129.6805	21.523	4	129.4792	10.242	9	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3930	0.000	1	131.3930	0.000	1	131.2580	3.689	4	129.7557	4.632	10	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.7470	0.000	1	132.5655	0.066	2	131.2580	3.689	4	129.7557	4.632	10	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.3840	0.000	1	132.5655	0.066	2	131.2580	3.689	4	129.7557	4.632	10	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]S[5])(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	128.5080	0.000	1	128.5080	0.000	1	131.2580	3.689	4	129.7557	4.632	10	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.4320	1.144	2	130.4320	1.309	2	130.4320	1.309	2	129.7557	4.632	10	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:	C[5,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.9350	0.000	1	126.9350	0.000	1	128.4425	4.545	2	129.7557	4.632	10	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,5]C[5,6a]C[3x5])(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[3x5]C[5,5]N[5]2)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.9500	0.000	1	129.9500	0.000	1	128.4425	4.545	2	129.7557	4.632	10	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-4:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2Se)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|Se<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	127.3880	0.406	2	127.3880	0.165	2	127.3880	0.165	2	129.7557	4.632	10	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:5:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-5:	C[5,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|C<2>,1|O<2>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Nb<5>,1|C<4>,1|P<4>,2|C<3>}	123.8850	0.222	2	123.8850	0.049	2	123.8850	0.049	2	129.3287	4.196	18	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:5:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2Cl2)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<5>,2|C<3>}	130.5270	0.042	2	130.5270	0.002	2	130.0224	0.353	14	129.3287	4.196	18	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:5:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HN)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<5>,2|C<3>}	129.3295	0.428	2	129.4695	0.214	6	130.0224	0.353	14	129.3287	4.196	18	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:5:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HN)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<5>,2|C<3>}	129.5395	0.526	4	129.4695	0.214	6	130.0224	0.353	14	129.3287	4.196	18	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:5:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HO)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<5>,2|C<3>}	130.4072	0.237	6	130.4072	0.056	6	130.0224	0.353	14	129.3287	4.196	18	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:5:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5,5]-5:	C[5,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(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){1|O<2>,3|C<3>,4|C<4>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	129.9165	0.067	2	129.9165	0.005	2	129.9165	0.005	2	129.3287	4.196	18	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:6:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-6:	C[5,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(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){2|Cl<1>,1|O<2>,1|O<3>,2|C<4>,3|C<3>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|Nb<6>,1|H<1>,1|O<2>,2|C<3>}	130.9470	0.505	2	130.9470	0.255	2	126.0063	19.680	7	126.0063	19.680	7	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:6:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-6:	C[5,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(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){3|Cl<1>,1|O<2>,2|C<4>,3|C<3>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|Nb<6>,1|H<1>,1|O<2>,2|C<3>}	130.0400	0.000	1	130.0400	0.000	1	126.0063	19.680	7	126.0063	19.680	7	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:6:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-6:	C[5,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|O<2>,1|P<4>,2|H<1>,3|C<3>,4|C<4>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<4>,1|P<4>,2|C<3>}	122.4605	2.074	2	122.4605	4.301	2	126.0063	19.680	7	126.0063	19.680	7	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:6:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-6:	C[5,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|P<4>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<4>,1|P<4>,2|C<3>}	122.5945	0.084	2	122.5945	0.007	2	126.0063	19.680	7	126.0063	19.680	7	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:7:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:Nb[5,5]-7:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,5]Nb[5,5]C[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<4>,1|P<4>,2|C<3>}	121.7400	0.000	1	121.7400	0.000	1	121.7400	0.000	1	121.7400	0.000	1	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[3x5]-4:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	125.3910	0.000	1	125.3910	0.000	1	125.3910	0.000	1	125.8443	0.575	3	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3]C[5]2)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3]C[5]2)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	125.4220	0.000	1	125.4220	0.000	1	126.0710	0.842	2	125.8443	0.575	3	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	126.7200	0.000	1	126.7200	0.000	1	126.0710	0.842	2	125.8443	0.575	3	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[5,5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	132.3020	0.268	3	132.3020	0.072	3	132.2295	0.069	4	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[5,5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	132.0120	0.000	1	132.0120	0.000	1	132.2295	0.069	4	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3: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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.8250	0.000	1	127.8250	0.000	1	127.8250	0.000	1	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0340	0.000	1	128.0340	0.000	1	128.6124	0.435	18	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1950	0.000	1	128.3325	0.338	6	128.6124	0.435	18	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.9380	0.006	2	128.3325	0.338	6	128.6124	0.435	18	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.8190	0.639	2	128.3325	0.338	6	128.6124	0.435	18	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2860	0.000	1	128.3325	0.338	6	128.6124	0.435	18	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	128.1880	0.000	1	128.1880	0.000	1	128.6124	0.435	18	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.1400	0.000	1	129.1400	0.000	1	128.6124	0.435	18	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]O)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.2985	0.330	2	129.2985	0.109	2	128.6124	0.435	18	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.3130	0.038	2	129.1687	0.063	3	128.6124	0.435	18	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.8800	0.000	1	129.1687	0.063	3	128.6124	0.435	18	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.8050	0.000	1	127.8050	0.000	1	128.6124	0.435	18	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.5680	0.000	1	127.5680	0.000	1	128.6124	0.435	18	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.3550	0.000	1	129.0955	0.135	2	128.6124	0.435	18	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.8360	0.000	1	129.0955	0.135	2	128.6124	0.435	18	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:N[5,5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(N[5,5]C[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(N[5,5]C[5]N[5]){1|Re<6>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	133.3620	0.000	1	133.3620	0.000	1	133.3620	0.000	1	129.3804	2.999	24	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:2:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[6a]-2:Cl-1:	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]N[5,5])(N[6a]C[6a])(Cl)	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN){1|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	135.1740	0.000	1	135.1740	0.000	1	135.5715	0.316	2	135.5715	0.316	2	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:2:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[6a]-2:Cl-1:	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(N[6a]C[6a])(Cl)	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	135.9690	0.000	1	135.9690	0.000	1	135.5715	0.316	2	135.5715	0.316	2	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>,1|O<2>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.7160	0.000	1	126.7160	0.000	1	125.8330	0.761	6	126.3192	1.472	8	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H)	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>,2|O<2>,3|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	125.7595	0.989	2	125.7595	0.979	2	125.8330	0.761	6	126.3192	1.472	8	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	126.1365	0.218	2	126.1365	0.048	2	125.8330	0.761	6	126.3192	1.472	8	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	124.4900	0.000	1	124.4900	0.000	1	125.8330	0.761	6	126.3192	1.472	8	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	127.7780	0.907	2	127.7780	0.822	2	127.7780	0.822	2	126.3192	1.472	8	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6,6a]C[6,6a]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6,6a]C[6,6a]O[6])(CH3){1|O<2>,2|C<3>,3|C<4>}	129.1680	0.000	1	129.1680	0.000	1	129.1680	0.000	1	129.1680	0.000	1	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.3340	0.000	1	126.3340	0.000	1	126.3340	0.000	1	127.2283	0.581	4	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.7985	0.483	2	127.7985	0.233	2	127.7985	0.233	2	127.2283	0.581	4	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.9820	0.000	1	126.9820	0.000	1	126.9820	0.000	1	127.2283	0.581	4	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){4|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	125.2930	0.000	1	125.2930	0.000	1	125.2930	0.000	1	125.2930	0.000	1	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	5:3:3:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Ga[5,5]-5:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	131.0973	0.241	4	131.0973	0.058	4	131.4153	0.312	6	130.5286	0.947	13	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	5:3:3:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Ga[5,5]-5:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Ga<5>,1|H<1>,1|O<2>,2|C<3>}	132.0515	0.414	2	132.0515	0.171	2	131.4153	0.312	6	130.5286	0.947	13	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	5:3:3:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[4,5,5]-5:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|N<3>,2|C<3>,2|C<4>,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){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	130.0797	0.127	4	130.0797	0.016	4	130.0797	0.016	4	130.5286	0.947	13	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	5:3:3:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	129.5930	0.000	1	129.5930	0.000	1	129.3537	0.043	3	130.5286	0.947	13	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	5:3:3:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]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)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	129.2340	0.016	2	129.2340	0.000	2	129.3537	0.043	3	130.5286	0.947	13	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	5:3:4:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Br)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>,4|H<1>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Br)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	124.4250	0.000	1	124.4250	0.000	1	124.3199	0.181	7	124.3199	0.181	7	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	5:3:4:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,3|C<3>,4|H<1>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	124.4145	0.252	2	124.4145	0.064	2	124.3199	0.181	7	124.3199	0.181	7	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	5:3:4:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	124.1670	0.670	3	124.1670	0.449	3	124.3199	0.181	7	124.3199	0.181	7	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	5:3:4:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,5](Si[5,5]N[5,6]S[5]CO)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	N[5,5](Si[5,5]N[5,6]S[5]CO)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	124.4840	0.000	1	124.4840	0.000	1	124.3199	0.181	7	124.3199	0.181	7	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	6:3:2:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	In[5,5]-6:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,5]In[5,5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](In[5,5]N[5,6]N[5]Cl3)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]In[5,5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[5,5](In[5,5]N[5,6]N[5]Cl3)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|In<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.3200	0.000	1	123.3200	0.000	1	123.3200	0.000	1	123.3200	0.000	1	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[6a]	3:3:3:	6:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	Si[3x5]-6:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	126.9303	0.362	7	126.9303	0.131	7	126.9303	0.131	7	126.9303	0.131	7	128.4788	8.288	118	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6,6]-3:C[5,6a]-3:B[3x6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H)	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H){2|Cl<1>,1|C<4>,1|H<1>,2|N<3>,6|C<3>}	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	129.9757	0.260	3	129.9757	0.068	3	129.9757	0.068	3	129.9757	0.068	3	129.6601	0.345	9	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]N)(H)	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>}	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[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,2|C<4>}	129.9210	0.000	1	129.9210	0.000	1	129.9210	0.000	1	129.1970	1.048	2	129.6601	0.345	9	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,3x6]-4:C[5,6a]-3:C[6,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	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)	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[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4730	0.000	1	128.4730	0.000	1	128.4730	0.000	1	129.1970	1.048	2	129.6601	0.345	9	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]2O)	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	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<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]2O){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.9720	0.000	1	129.9720	0.000	1	129.9720	0.000	1	129.9720	0.000	1	129.6601	0.345	9	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6,6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	129.2210	0.264	2	129.2210	0.070	2	129.2210	0.070	2	129.5493	0.358	3	129.6601	0.345	9	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6,6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	130.2060	0.000	1	130.2060	0.000	1	130.2060	0.000	1	129.5493	0.358	3	129.6601	0.345	9	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-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])	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)	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>}	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,4|C<3>}	129.3500	0.000	1	129.3500	0.000	1	129.3500	0.000	1	129.3500	0.000	1	129.3500	0.000	1	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]O[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	127.6100	0.243	2	127.6100	0.059	2	127.6100	0.059	2	127.6100	0.059	2	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:B[6]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	126.8810	1.368	2	126.8810	1.870	2	126.8810	1.870	2	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	127.9755	0.274	2	127.9755	0.075	2	129.7664	6.000	16	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.5690	0.000	1	129.4705	0.019	2	129.7664	6.000	16	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.3720	0.000	1	129.4705	0.019	2	129.7664	6.000	16	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.0180	0.000	1	129.0180	0.000	1	129.7664	6.000	16	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	128.5930	0.000	1	128.8183	0.602	3	129.7664	6.000	16	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	129.6820	0.000	1	128.8183	0.602	3	129.7664	6.000	16	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|I<1>,4|C<3>}	128.1800	0.000	1	128.8183	0.602	3	129.7664	6.000	16	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	133.1520	0.000	1	133.1520	0.000	1	129.7664	6.000	16	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	133.8925	0.141	2	133.8740	0.011	3	129.7664	6.000	16	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	133.8370	0.000	1	133.8740	0.011	3	129.7664	6.000	16	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	128.5680	0.000	1	128.5680	0.000	1	129.7664	6.000	16	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]C)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	127.1980	0.000	1	127.1980	0.000	1	129.7664	6.000	16	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	127.7220	0.000	1	127.6785	0.004	2	129.7664	6.000	16	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	127.6350	0.000	1	127.6785	0.004	2	129.7664	6.000	16	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	133.9870	0.000	1	133.9870	0.000	1	131.5370	12.005	2	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	129.0870	0.000	1	129.0870	0.000	1	131.5370	12.005	2	129.6549	6.660	20	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]F)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]F)(F)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|S<2>,2|C<3>}	127.9450	0.000	1	127.9450	0.000	1	127.9450	0.000	1	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	128.2510	0.000	1	128.2510	0.000	1	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	130.8830	0.000	1	130.8830	0.000	1	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	131.7140	0.000	1	131.7140	0.000	1	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	133.2630	0.018	2	133.2630	0.000	2	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	131.8330	0.000	1	131.8330	0.000	1	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	132.9250	0.000	1	132.9250	0.000	1	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	132.5354	0.291	5	132.5354	0.084	5	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|O<2>}	133.1660	0.000	1	133.1660	0.000	1	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(B[6]O[6]FF)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	132.7195	0.416	6	132.7195	0.173	6	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	131.6840	0.000	1	131.6840	0.000	1	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	127.6420	0.000	1	127.6420	0.000	1	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	126.8975	0.384	2	126.8975	0.147	2	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	127.7090	0.000	1	127.7090	0.000	1	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	127.3992	0.348	5	127.3992	0.121	5	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	126.8110	0.000	1	126.8110	0.000	1	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	126.6360	0.000	1	126.7145	0.012	2	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	126.7930	0.000	1	126.7145	0.012	2	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	127.9520	0.000	1	127.9520	0.000	1	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	127.0210	0.531	6	127.0210	0.282	6	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	126.6060	0.000	1	126.5324	0.644	9	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	125.5715	0.613	2	126.5324	0.644	9	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	126.8405	0.687	6	126.5324	0.644	9	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	126.9763	0.532	3	126.8956	0.174	5	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	126.7745	0.282	2	126.8956	0.174	5	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	126.9340	0.000	1	126.9340	0.000	1	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	126.1080	0.000	1	126.7509	0.355	12	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|F<1>,1|S<2>,2|C<3>}	126.6790	0.000	1	126.7509	0.355	12	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	126.9170	0.000	1	126.7509	0.355	12	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|O<2>,1|S<2>,2|C<3>}	128.0480	0.000	1	126.7509	0.355	12	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|S<2>,3|C<3>}	126.8843	0.293	6	126.7509	0.355	12	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|B<4>,1|S<2>,2|C<3>}	125.8240	0.000	1	126.7509	0.355	12	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<4>,1|S<2>,2|C<3>}	126.1290	0.000	1	126.7509	0.355	12	128.5402	6.881	66	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.8190	0.127	2	128.8190	0.016	2	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0170	0.000	1	128.0170	0.000	1	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.3440	0.000	1	133.3440	0.000	1	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.9960	0.000	1	133.9960	0.000	1	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1140	0.000	1	132.4417	0.081	3	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.6055	0.028	2	132.4417	0.081	3	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.8820	0.000	1	130.8820	0.000	1	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]S[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8270	0.000	1	131.8270	0.000	1	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	132.4350	1.632	4	132.4350	2.664	4	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.1430	0.000	1	127.1430	0.000	1	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|S<2>,2|C<3>}	126.7185	0.168	2	126.7185	0.028	2	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.7840	0.588	2	126.7840	0.346	2	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.8590	0.000	1	126.5170	0.234	2	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.1750	0.000	1	126.5170	0.234	2	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HN)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	126.3110	0.000	1	126.3110	0.000	1	129.8301	8.380	22	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:S[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	131.6690	0.000	1	131.6690	0.000	1	131.6690	0.000	1	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:S[6]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a,6a]H)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6])(H)	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>}	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6])(H){1|N<3>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	131.6910	0.000	1	131.6910	0.000	1	131.6910	0.000	1	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(B[6]N[5,6]CC)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(B[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	130.5615	0.176	2	130.5615	0.031	2	130.5615	0.031	2	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.0625	0.235	2	128.5387	0.851	3	128.9494	0.849	5	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.4910	0.000	1	128.5387	0.851	3	128.9494	0.849	5	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Cu<2>,1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Cu<2>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.1020	0.000	1	129.5655	0.430	2	128.9494	0.849	5	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.0290	0.000	1	129.5655	0.430	2	128.9494	0.849	5	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.4730	0.000	2	132.4730	0.000	2	132.4730	0.000	2	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|O<2>,2|C<3>}	131.9420	0.000	1	131.9420	0.000	1	131.6078	0.117	5	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|O<2>,2|C<3>}	131.5242	0.331	4	131.5242	0.110	4	131.6078	0.117	5	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:Ga[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ga<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	129.5462	0.627	4	129.5462	0.393	4	129.5462	0.393	4	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[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)	C[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	131.8010	0.522	2	131.8010	0.272	2	131.8010	0.272	2	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	131.7840	0.000	1	131.7840	0.000	1	131.7840	0.000	1	129.2290	6.802	112	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CH3)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CH3){1|Ga<4>,1|H<1>,1|O<2>,2|C<3>}	132.3000	0.270	2	132.3000	0.073	2	132.3000	0.073	2	132.3000	0.073	2	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:6:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:Nb[6]-6:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[5,6]Nb[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(Nb[6]O[6]O4)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Nb<6>,1|H<1>,1|S<2>,2|C<3>}	126.1170	0.000	1	126.1170	0.000	1	126.1170	0.000	1	126.1170	0.000	1	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	127.0080	0.033	2	127.0080	0.001	2	126.9800	0.172	5	126.9800	0.172	5	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	126.9613	0.585	3	126.9613	0.343	3	126.9800	0.172	5	126.9800	0.172	5	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	132.9475	0.240	2	132.9475	0.057	2	128.6799	7.189	8	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]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])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	127.5350	0.431	2	127.3160	0.237	3	128.6799	7.189	8	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]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])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	126.8780	0.000	1	127.3160	0.237	3	128.6799	7.189	8	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	126.8320	0.629	2	126.8320	0.396	2	128.6799	7.189	8	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	127.9320	0.000	1	127.9320	0.000	1	128.6799	7.189	8	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.9710	0.000	1	127.9710	0.000	1	127.9710	0.000	1	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.9630	0.000	1	128.9630	0.000	1	129.4764	2.667	9	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	128.0750	0.000	1	127.9483	0.013	3	129.4764	2.667	9	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	127.8850	0.037	2	127.9483	0.013	3	129.4764	2.667	9	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.0710	0.000	1	129.0710	0.000	1	129.4764	2.667	9	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.6870	0.000	1	128.6870	0.000	1	129.4764	2.667	9	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4000	0.000	1	131.4000	0.000	1	129.4764	2.667	9	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5930	0.000	1	131.5930	0.000	1	129.4764	2.667	9	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7290	0.000	1	131.7290	0.000	1	129.4764	2.667	9	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8600	0.000	1	131.8600	0.000	1	129.9180	7.543	2	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.9760	0.000	1	127.9760	0.000	1	129.9180	7.543	2	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	132.3280	0.000	1	132.3280	0.000	1	130.8147	8.831	3	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	132.7250	0.000	1	132.7250	0.000	1	130.8147	8.831	3	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	127.3910	0.000	1	127.3910	0.000	1	130.8147	8.831	3	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[6,6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	131.1330	0.000	1	131.1330	0.000	1	131.1330	0.000	1	129.4213	4.897	24	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OH)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|C<4>}	130.5910	0.000	1	130.5910	0.000	1	130.5910	0.000	1	130.5910	0.000	1	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CCCH)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	128.0610	0.000	1	128.0610	0.000	1	127.8020	0.134	2	127.8020	0.134	2	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CCCH)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	127.5430	0.000	1	127.5430	0.000	1	127.8020	0.134	2	127.8020	0.134	2	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.0200	0.000	1	128.0200	0.000	1	129.2284	0.436	7	129.2284	0.436	7	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>,2|C<4>,7|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	129.5080	0.000	1	129.1750	0.222	2	129.2284	0.436	7	129.2284	0.436	7	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.8420	0.000	1	129.1750	0.222	2	129.2284	0.436	7	129.2284	0.436	7	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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<2>,2|C<3>,3|C<4>,4|H<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]HH){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.8335	0.383	2	129.6997	0.127	3	129.2284	0.436	7	129.2284	0.436	7	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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<2>,2|C<4>,3|C<3>,4|H<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]HH){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.4320	0.000	1	129.6997	0.127	3	129.2284	0.436	7	129.2284	0.436	7	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	129.1300	0.000	1	129.1300	0.000	1	129.2284	0.436	7	129.2284	0.436	7	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[4,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.8380	0.000	1	128.8380	0.000	1	128.8380	0.000	1	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.3775	0.097	2	129.3775	0.009	2	128.9785	0.230	4	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.7290	0.000	1	128.5795	0.045	2	128.9785	0.230	4	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4300	0.000	1	128.5795	0.045	2	128.9785	0.230	4	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.6984	0.547	5	128.7148	0.241	6	127.9726	0.382	37	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.7970	0.000	1	128.7148	0.241	6	127.9726	0.382	37	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	127.7993	0.518	30	127.7993	0.268	30	127.9726	0.382	37	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.7180	0.000	1	128.7180	0.000	1	127.9726	0.382	37	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	128.8850	0.000	1	128.8850	0.000	1	128.6902	0.101	4	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.8440	0.000	1	128.5300	0.197	2	128.6902	0.101	4	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.2160	0.000	1	128.5300	0.197	2	128.6902	0.101	4	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.8160	0.000	1	128.8160	0.000	1	128.6902	0.101	4	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	132.3080	0.000	1	132.3080	0.000	1	130.1075	9.684	2	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.9070	0.000	1	127.9070	0.000	1	130.1075	9.684	2	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4040	0.000	1	128.7136	0.263	7	128.7136	0.263	7	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2140	0.595	2	128.7136	0.263	7	128.7136	0.263	7	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.8610	0.000	1	128.7136	0.263	7	128.7136	0.263	7	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.9490	0.000	1	128.7136	0.263	7	128.7136	0.263	7	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.9290	0.000	1	128.7136	0.263	7	128.7136	0.263	7	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.4240	0.000	1	128.7136	0.263	7	128.7136	0.263	7	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	131.4740	0.000	1	131.4740	0.000	1	131.4740	0.000	1	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[5,6,6]C[6,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6,6]C[6,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.4530	0.000	1	129.4530	0.000	1	129.4530	0.000	1	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.7720	0.000	2	128.7720	0.000	2	128.7720	0.000	2	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){3|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.4520	0.000	1	128.4520	0.000	1	128.4520	0.000	1	128.3772	0.881	60	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:O-2:	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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	128.4840	0.000	1	128.4840	0.000	1	128.4840	0.000	1	129.1687	0.771	3	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:O-2:	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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	128.8630	0.000	1	128.8630	0.000	1	128.8630	0.000	1	129.1687	0.771	3	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:O-2:	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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	130.1590	0.000	1	130.1590	0.000	1	130.1590	0.000	1	129.1687	0.771	3	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,5,6,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.2120	0.000	1	129.2120	0.000	1	129.2120	0.000	1	128.5215	2.923	12	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3: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)	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]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>,4|C<4>,5|H<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]HH){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.2880	0.000	1	129.2880	0.000	1	129.2880	0.000	1	128.5215	2.923	12	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>,3|C<3>,3|C<4>}	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.6680	0.000	1	129.6680	0.000	1	129.1927	0.573	4	128.5215	2.923	12	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>,3|C<3>,3|H<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]CH){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.5485	0.049	2	128.5485	0.002	2	129.1927	0.573	4	128.5215	2.923	12	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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|C<4>,5|H<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]HH){2|N<3>,4|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	130.0060	0.000	1	130.0060	0.000	1	129.1927	0.573	4	128.5215	2.923	12	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	131.3470	0.000	1	130.0965	3.128	2	130.0965	3.128	2	128.5215	2.923	12	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,4|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.8460	0.000	1	130.0965	3.128	2	130.0965	3.128	2	128.5215	2.923	12	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3: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)	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]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>,2|C<3>,2|C<4>,4|H<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]HH){3|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.1750	0.000	1	127.1750	0.000	1	127.1750	0.000	1	128.5215	2.923	12	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.5130	0.000	1	128.5130	0.000	1	128.5130	0.000	1	128.5215	2.923	12	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Ge[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]Ge[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,6](Ge[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Ge[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	N[5,6](Ge[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>,5|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	125.5530	0.211	2	125.5530	0.044	2	125.5530	0.044	2	128.5215	2.923	12	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	In[5,5,6,6]-5:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	124.5270	0.840	4	124.5270	0.706	4	124.5270	0.706	4	127.3951	8.011	9	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6,6]-5:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(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){1|C<4>,2|H<1>,2|O<2>,4|C<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]){1|C<4>,1|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|N<3>,2|C<3>}	129.1530	0.103	2	129.1530	0.011	2	129.1530	0.011	2	127.3951	8.011	9	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6]-5:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	130.5835	0.226	2	130.5835	0.051	2	130.0473	0.888	3	127.3951	8.011	9	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6]-5:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	128.9750	0.000	1	128.9750	0.000	1	130.0473	0.888	3	127.3951	8.011	9	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	5:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6,6]-5:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3: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)	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]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(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){2|O<2>,3|H<1>,5|C<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]H){10|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	125.4790	0.403	2	125.4790	0.162	2	125.4790	0.162	2	125.4790	0.162	2	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Nb[5,6]-6:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[6,6a]Nb[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	N[5,6](Nb[5,6]N[6]P[5]Cl2N)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[6,6a]Nb[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](Nb[5,6]N[6]P[5]Cl2N)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|P<4>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<4>,1|P<4>,2|C<3>}	122.0615	0.241	2	122.0615	0.058	2	122.0615	0.058	2	124.7978	6.993	8	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|S<2>,2|C<3>}	123.8020	0.661	3	123.8020	0.437	3	124.9536	2.943	5	124.7978	6.993	8	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(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){2|H<1>,2|O<2>,6|C<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]){12|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	127.3700	0.000	1	127.3700	0.000	1	124.9536	2.943	5	124.7978	6.993	8	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(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){2|O<2>,3|H<1>,5|C<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]H){10|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	125.9920	0.000	1	125.9920	0.000	1	124.9536	2.943	5	124.7978	6.993	8	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[6a]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6]-6:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|O<2>,2|C<3>}	129.4910	0.000	1	129.4910	0.000	1	129.4910	0.000	1	124.7978	6.993	8	128.7881	5.497	270	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6,6a])(O[5]N[5])(O)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]O){1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(O[5]N[5])(O){3|C<3>}	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	128.7545	0.115	2	128.7545	0.013	2	128.7545	0.013	2	128.7545	0.013	2	129.6090	1.789	8	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-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)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]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){1|N<3>,2|H<1>,4|C<3>}	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[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,2|H<1>,2|N<3>,3|C<3>}	130.1275	0.998	2	130.1275	0.995	2	130.1275	0.995	2	130.0687	0.508	3	129.6090	1.789	8	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[6]-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)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]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){1|N<3>,2|H<1>,4|C<3>}	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[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	129.9510	0.000	1	129.9510	0.000	1	129.9510	0.000	1	130.0687	0.508	3	129.6090	1.789	8	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6,6a]-3:C[6]-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)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]H)(CH3)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	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>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]H)(CH3){1|C<4>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	130.9680	0.052	2	130.9680	0.003	2	130.9680	0.003	2	130.9680	0.003	2	129.6090	1.789	8	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:S[5]-4:H-1:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]H)	N[5](C[5,6a]C[5,6a]C[6,6a])(S[5]N[5]OO)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(S[5]N[5]OO)(H){3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H){1|S<4>,2|C<3>,2|N<2>,3|H<1>}	127.2210	0.000	1	127.2210	0.000	1	127.2210	0.000	1	127.2210	0.000	1	129.6090	1.789	8	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(H)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	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>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(H){3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	126.1330	0.000	1	126.1330	0.000	1	126.1330	0.000	1	129.7443	1.669	11	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]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){1|N<2>,2|H<1>,4|C<3>}	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[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	130.1230	0.000	1	130.1230	0.000	1	130.2489	0.173	8	129.7443	1.669	11	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]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){1|H<1>,1|N<2>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	131.2290	0.000	1	131.2290	0.000	1	130.2489	0.173	8	129.7443	1.669	11	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]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){1|N<2>,2|H<1>,4|C<3>}	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[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	130.1290	0.000	1	130.1210	0.000	2	130.2489	0.173	8	129.7443	1.669	11	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]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){1|N<3>,2|H<1>,4|C<3>}	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[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	130.1130	0.000	1	130.1210	0.000	2	130.2489	0.173	8	129.7443	1.669	11	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]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){2|H<1>,5|C<3>}	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	130.0992	0.193	4	130.0992	0.037	4	130.2489	0.173	8	129.7443	1.669	11	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]N[5]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]Zn)(H)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]N[5]H){1|Zn<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]Zn)(H){1|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	129.1370	0.000	1	129.1370	0.000	1	129.1370	0.000	1	129.7443	1.669	11	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[3x6a]-3:C[6a]-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)	N[5](C[5,6a]C[6a,6a]N[5,6a])(C[5,6a]C[5,6a]C[6a])(H)	C[6a,6a](C[5,6a]N[5,6a]N[5])(C[3x6a]C[6a,6a]2)(C[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){1|H<1>,1|O<1>,5|C<3>}	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[6a,6a](C[5,6a]N[5,6a]N[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	129.9260	0.000	1	129.9260	0.000	1	129.9260	0.000	1	129.7443	1.669	11	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-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])	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	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>}	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	130.0165	0.341	4	130.0165	0.116	4	130.0165	0.116	4	130.1242	0.634	18	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-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])	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	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>}	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	130.4230	0.000	1	130.4230	0.000	1	130.4230	0.000	1	130.1242	0.634	18	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-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])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	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>}	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	130.6865	0.166	2	130.6865	0.028	2	129.8255	0.634	10	130.1242	0.634	18	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-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])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	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>}	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	129.6103	0.740	8	129.6103	0.547	8	129.8255	0.634	10	130.1242	0.634	18	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-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])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6]N[6])(N[5]C[5]Pd)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	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>}	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[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	131.6770	0.000	1	131.6770	0.000	1	131.6770	0.000	1	130.1242	0.634	18	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-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])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	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|Rh<6>,1|H<1>,7|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	130.9070	0.233	2	130.9070	0.054	2	130.9070	0.054	2	130.1242	0.634	18	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	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>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH){1|C<4>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	130.4200	0.082	2	130.4200	0.007	2	130.6423	0.340	6	131.0118	0.494	10	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH){1|C<4>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	131.2995	0.542	2	131.2995	0.294	2	130.6423	0.340	6	131.0118	0.494	10	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Pt)(CH3)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Pt<4>,1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Pt)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,5|C<3>}	130.2075	0.240	2	130.2075	0.057	2	130.6423	0.340	6	131.0118	0.494	10	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	131.5660	0.483	4	131.5660	0.233	4	131.5660	0.233	4	131.0118	0.494	10	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:4:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:P[5,6]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]P[5,6]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(P[5,6]N[5]N[6]2)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]P[5,6]H){2|H<1>,2|N<2>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(P[5,6]N[5]N[6]2)(H){1|H<1>,2|P<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,1|P<4>,3|C<3>,3|H<1>}	126.7820	0.000	1	126.7820	0.000	1	126.7820	0.000	1	126.5585	0.100	2	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:4:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:S[5]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO)(H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]H){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO)(H){3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	126.3350	0.000	1	126.3350	0.000	1	126.3350	0.000	1	126.5585	0.100	2	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:4:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	126.3320	0.000	1	126.3320	0.000	1	126.3970	0.687	4	126.3970	0.687	4	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:4:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	125.5860	0.000	1	126.4187	1.027	3	126.3970	0.687	4	126.3970	0.687	4	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:4:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	127.5470	0.000	1	126.4187	1.027	3	126.3970	0.687	4	126.3970	0.687	4	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:4:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	126.1230	0.000	1	126.4187	1.027	3	126.3970	0.687	4	126.3970	0.687	4	129.7388	2.678	45	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	132.0650	1.240	2	132.0650	1.538	2	132.0650	1.538	2	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|N<3>,2|H<1>}	125.7156	0.459	8	125.7156	0.210	8	125.7156	0.210	8	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	133.3800	0.000	1	133.3646	0.332	50	133.3646	0.332	50	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	133.2990	0.000	1	133.3646	0.332	50	133.3646	0.332	50	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	133.2546	0.511	36	133.3646	0.332	50	133.3646	0.332	50	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Co<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	133.9500	0.732	4	133.3646	0.332	50	133.3646	0.332	50	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Co<6>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	134.1950	0.000	1	133.3646	0.332	50	133.3646	0.332	50	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Ni<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Ni<6>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	133.2783	0.677	3	133.3646	0.332	50	133.3646	0.332	50	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Zn<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Zn<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	133.6388	0.777	4	133.3646	0.332	50	133.3646	0.332	50	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	131.9810	0.405	3	130.9870	0.850	8	130.9870	0.850	8	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	130.3906	0.469	5	130.9870	0.850	8	130.9870	0.850	8	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]O){1|Br<1>,1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|Br<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	131.1585	0.566	4	131.1585	0.320	4	131.1585	0.320	4	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|Cl<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	130.9675	0.338	4	130.9675	0.114	4	130.9675	0.114	4	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<2>,1|C<3>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	127.9293	0.581	3	127.9293	0.337	3	128.9317	1.388	6	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	129.6470	0.000	1	129.9340	0.120	3	128.9317	1.388	6	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|N<2>,1|O<1>,1|O<2>}	130.0775	0.342	2	129.9340	0.120	3	128.9317	1.388	6	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5])(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	129.1215	0.747	4	129.1215	0.558	4	129.1215	0.558	4	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H){1|C<2>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	126.3890	0.000	1	126.3890	0.000	1	126.3890	0.000	1	131.6201	6.606	87	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	125.9850	0.000	1	125.9850	0.000	1	125.9850	0.000	1	125.9850	0.000	1	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]O[5]O){2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	127.7300	0.000	1	127.7300	0.000	1	127.7300	0.000	1	126.6260	1.515	3	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	125.2990	0.000	1	125.2990	0.000	1	125.2990	0.000	1	126.6260	1.515	3	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|S<2>,3|C<3>,4|H<1>}	126.8490	0.000	1	126.8490	0.000	1	126.8490	0.000	1	126.6260	1.515	3	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(OFe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(OFe){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	132.7780	0.000	1	132.7780	0.000	1	132.7780	0.000	1	132.7780	0.000	1	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	134.2217	0.462	4	134.2217	0.213	4	134.0846	0.254	5	134.0846	0.254	5	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CN[6]N)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CN[6]N){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	133.5360	0.000	1	133.5360	0.000	1	134.0846	0.254	5	134.0846	0.254	5	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])(CH3)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]Se[5]C){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,3|C<3>}	126.8150	0.000	1	126.8150	0.000	1	126.8150	0.000	1	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	133.7210	0.000	1	133.7210	0.000	1	132.6055	2.489	2	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	131.4900	0.000	1	131.4900	0.000	1	132.6055	2.489	2	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-2:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|Ge<2>,1|C<3>,2|C<4>,2|N<3>}	126.7947	0.478	4	126.7947	0.229	4	126.7947	0.229	4	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	129.1825	0.462	8	129.1825	0.213	8	128.2695	1.492	14	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.2978	0.736	4	127.2978	0.541	4	128.2695	1.492	14	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.5610	0.016	2	126.5610	0.000	2	128.2695	1.492	14	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(BH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]B){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(BH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.7520	0.000	1	131.7520	0.000	1	131.7520	0.000	1	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	132.6767	0.415	3	132.9612	0.188	11	132.6957	0.719	23	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Co<6>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	133.0050	0.000	1	132.9612	0.188	11	132.6957	0.719	23	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	132.9570	0.402	2	132.9612	0.188	11	132.6957	0.719	23	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Ni<6>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	132.8100	0.000	1	132.9612	0.188	11	132.6957	0.719	23	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Zn<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Zn<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	133.2035	0.539	4	132.9612	0.188	11	132.6957	0.719	23	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|B<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3){1|B<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	133.4090	0.000	1	132.4548	1.378	10	132.6957	0.719	23	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	132.3488	1.193	9	132.4548	1.378	10	132.6957	0.719	23	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	132.2950	0.000	1	132.4395	0.042	2	132.6957	0.719	23	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO){1|Cu<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	132.5840	0.000	1	132.4395	0.042	2	132.6957	0.719	23	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	129.2225	0.746	2	129.2225	0.557	2	128.1987	3.423	3	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	126.1510	0.000	1	126.1510	0.000	1	128.1987	3.423	3	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(BC[6a]3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]B){1|Br<1>,1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(BC[6a]3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	129.8310	0.000	1	129.8310	0.000	1	129.8310	0.000	1	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(CH3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	128.3160	0.000	1	128.3160	0.000	1	128.3160	0.000	1	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BBr3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BBr3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	127.4220	0.000	1	127.4220	0.000	1	126.7100	0.237	5	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BC[6a]3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BC[6a]3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	126.1530	0.000	1	126.1530	0.000	1	126.7100	0.237	5	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BCl3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|B<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BCl3){1|B<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	126.4000	0.000	1	126.6480	0.123	2	126.7100	0.237	5	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BCl3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BCl3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	126.8960	0.000	1	126.6480	0.123	2	126.7100	0.237	5	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BF3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BF3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	126.6790	0.000	1	126.6790	0.000	1	126.7100	0.237	5	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	129.4250	0.000	1	129.4250	0.000	1	127.6863	0.382	15	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCCH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	127.6105	0.091	2	127.6105	0.008	2	127.6863	0.382	15	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	127.6848	0.458	6	127.6848	0.210	6	127.6863	0.382	15	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	127.4580	0.541	3	127.4580	0.293	3	127.6863	0.382	15	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CH3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	127.3887	0.354	3	127.3887	0.125	3	127.6863	0.382	15	129.5760	6.709	70	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NH)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	133.9830	0.000	1	133.9830	0.000	1	133.9830	0.000	1	133.9830	0.000	1	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	135.6117	1.770	3	135.6117	3.132	3	135.4892	1.054	8	135.6302	1.101	9	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	135.2182	0.294	4	135.2182	0.086	4	135.4892	1.054	8	135.6302	1.101	9	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	136.2060	0.000	1	136.2060	0.000	1	135.4892	1.054	8	135.6302	1.101	9	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(N[5]C[5]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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	136.7580	0.000	1	136.7580	0.000	1	136.7580	0.000	1	135.6302	1.101	9	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(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){1|O<1>,4|C<3>}	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[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	133.5950	0.000	1	133.5950	0.000	1	133.5950	0.000	1	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	133.2625	0.066	2	133.2625	0.004	2	133.2625	0.004	2	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.0348	0.971	4	131.0348	0.942	4	131.1148	0.739	5	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	131.4350	0.000	1	131.4350	0.000	1	131.1148	0.739	5	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.7780	0.000	1	131.7780	0.000	1	131.8245	0.004	2	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.8710	0.000	1	131.8710	0.000	1	131.8245	0.004	2	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(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){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	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[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,3|C<4>}	128.3397	1.847	3	128.3397	3.410	3	128.3397	3.410	3	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.8453	0.500	11	128.8453	0.250	11	129.3729	1.312	14	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.9290	0.000	1	130.9290	0.000	1	129.3729	1.312	14	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.3340	0.000	1	131.4965	0.053	2	129.3729	1.312	14	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.6590	0.000	1	131.4965	0.053	2	129.3729	1.312	14	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:As-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(As)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|As<1>,1|H<1>,1|N<3>,2|C<3>}	133.1030	1.055	2	133.1030	1.113	2	133.1030	1.113	2	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(Cl){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	132.4260	0.000	1	132.4260	0.000	1	132.4260	0.000	1	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:Ge-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(Ge)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<1>,1|H<1>,1|N<3>,2|C<3>}	131.5230	0.000	1	131.5230	0.000	1	131.5230	0.000	1	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])2(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|H<1>,2|N<3>,3|C<3>}	130.6510	0.000	1	130.6510	0.000	1	131.5447	1.097	3	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Ir)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Ir)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	131.9915	0.998	2	131.9915	0.995	2	131.5447	1.097	3	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]O[6])(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]O[6])(H){1|H<1>,2|C<4>,3|C<3>}	127.0820	0.000	1	127.0820	0.000	1	127.0820	0.000	1	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	129.1865	0.310	2	129.1454	3.149	7	129.0645	1.625	15	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	129.1250	0.000	1	129.1454	3.149	7	129.0645	1.625	15	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	127.1310	1.653	2	129.1454	3.149	7	129.0645	1.625	15	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	131.1290	0.280	2	129.1454	3.149	7	129.0645	1.625	15	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	129.4770	0.000	1	129.4770	0.000	1	129.0645	1.625	15	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	128.5580	0.000	1	128.9246	0.583	7	129.0645	1.625	15	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	130.0900	0.000	1	128.9246	0.583	7	129.0645	1.625	15	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	128.7648	0.685	5	128.9246	0.583	7	129.0645	1.625	15	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	127.9630	0.000	1	127.9630	0.000	1	128.0306	0.593	8	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	128.3000	0.184	2	128.0403	0.691	7	128.0306	0.593	8	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	127.6080	0.000	1	128.0403	0.691	7	128.0306	0.593	8	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	127.5540	1.225	2	128.0403	0.691	7	128.0306	0.593	8	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	127.6390	0.000	1	128.0403	0.691	7	128.0306	0.593	8	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	129.3270	0.000	1	128.0403	0.691	7	128.0306	0.593	8	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	128.9356	0.315	7	128.9869	0.106	8	128.9869	0.106	8	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|F<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|C<4>,2|C<3>,2|H<1>}	129.3460	0.000	1	128.9869	0.106	8	128.9869	0.106	8	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.6480	0.000	1	128.6480	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.1575	0.255	2	127.0500	6.066	9	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	122.8360	1.348	2	127.0500	6.066	9	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	127.7560	0.000	1	127.0500	6.066	9	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.4267	0.448	4	127.0500	6.066	9	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	128.5540	0.000	1	128.5540	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	129.1402	0.216	6	128.9346	0.184	8	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.3180	0.206	2	128.9346	0.184	8	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.5570	0.000	1	128.5570	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.1730	0.000	1	128.1730	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	128.4300	0.000	1	128.4300	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	126.7060	0.181	2	126.7060	0.033	2	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	128.4064	0.424	5	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	128.2313	0.569	3	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.1620	0.269	2	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	129.1785	0.526	4	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.9776	0.532	139	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	128.0327	0.391	6	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.6187	0.265	3	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.3855	0.227	2	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	127.9420	0.000	1	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.1785	0.235	2	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	127.9637	0.287	3	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.3330	0.000	1	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	128.1500	0.000	1	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.3585	0.026	2	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	128.5720	0.407	2	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	127.7480	0.000	2	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.2605	0.699	48	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	128.4024	0.757	5	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.0668	0.485	4	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	128.9300	0.000	1	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.5670	0.000	1	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	128.2050	0.000	1	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.5867	0.559	6	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.6440	0.154	2	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	129.0430	0.000	1	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.3080	0.055	2	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.7075	0.694	2	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.5287	0.178	3	128.1396	0.367	254	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,2|H<1>}	128.0170	0.000	1	128.0170	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	127.2520	0.496	2	127.2520	0.246	2	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.3810	0.000	1	128.3810	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.9800	0.000	1	127.7580	0.099	2	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	127.5360	0.000	1	127.7580	0.099	2	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	127.0580	0.000	1	127.0580	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	126.1110	1.239	2	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.9220	0.000	1	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.4407	0.195	6	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.5173	0.165	3	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.9620	0.000	1	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	128.7370	0.000	1	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.9180	0.345	2	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	128.2680	0.000	1	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.9360	0.000	1	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	128.5580	0.000	1	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	129.1870	0.000	1	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.6017	0.648	7	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	128.1390	0.105	2	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.6750	0.000	1	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.3415	0.011	2	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	128.2540	0.000	1	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	128.3263	0.272	3	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	130.9910	0.000	1	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.4141	0.494	20	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	128.9436	0.212	5	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.9050	0.000	1	128.3778	0.619	63	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	126.1900	0.000	1	126.1900	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	128.0250	0.322	2	128.0250	0.104	2	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|F<1>,1|H<1>,3|C<3>}	128.0140	0.000	1	127.8985	0.027	2	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	127.7830	0.000	1	127.8985	0.027	2	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.7640	0.000	1	128.5611	0.073	8	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	128.3120	0.000	1	128.5611	0.073	8	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	128.4130	0.000	1	128.5611	0.073	8	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	128.4390	0.000	1	128.5611	0.073	8	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	128.4890	0.000	1	128.5611	0.073	8	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	129.1290	0.000	1	128.5611	0.073	8	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	128.4715	0.166	2	128.5611	0.073	8	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	127.8670	0.000	1	127.8670	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	128.4437	0.124	3	128.4871	0.096	15	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	128.2260	0.190	2	128.4871	0.096	15	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	128.5080	0.000	1	128.4871	0.096	15	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.5128	0.369	8	128.4871	0.096	15	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	128.9130	0.000	1	128.4871	0.096	15	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	127.3740	0.000	1	127.3740	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.4180	0.107	2	128.4180	0.012	2	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.6180	0.000	1	128.6180	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	127.6410	0.165	2	127.5353	0.047	3	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	127.3240	0.000	1	127.5353	0.047	3	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	128.2230	0.000	1	127.9527	0.840	7	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	128.3770	0.000	1	127.9527	0.840	7	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	127.7060	0.000	1	127.9527	0.840	7	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	128.9450	0.000	1	127.9527	0.840	7	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	127.7630	0.000	1	127.9527	0.840	7	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	126.1190	0.000	1	127.9527	0.840	7	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	128.5360	0.000	1	127.9527	0.840	7	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	127.8020	0.000	1	127.8020	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	127.5400	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.8470	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	129.0060	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.9260	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.2250	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.2626	0.510	8	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	128.5627	0.887	3	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	128.3800	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	128.3540	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	128.6447	0.283	3	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.1100	0.531	30	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	128.8300	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.4710	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	128.8410	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.2531	0.523	12	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	127.3460	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.2610	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	129.1270	0.462	3	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.6440	0.044	2	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	128.6772	0.289	5	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	128.6173	0.577	9	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	128.3594	0.436	5	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	129.2880	0.632	3	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	128.4216	0.713	37	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.1950	0.000	2	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	127.4066	1.137	5	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.9360	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.3100	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	129.2350	0.662	3	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.8410	0.744	5	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.8220	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	128.4395	0.090	2	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.2980	0.407	2	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	127.5290	0.171	2	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	128.1260	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.4001	0.413	16	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	128.0400	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	128.4540	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	127.7020	0.240	5	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	127.8230	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	127.5185	0.278	2	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	127.7385	0.131	2	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	127.6620	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	127.4590	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.2640	0.401	10	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	128.2020	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.3180	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.9650	0.249	2	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	127.5440	0.687	2	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	127.4310	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.6807	0.603	3	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.1107	0.330	4	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.1870	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	128.4797	0.661	3	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.8060	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	128.9135	0.296	2	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	128.2820	0.636	3	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	127.3280	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<6>,3|C<3>}	128.4965	0.934	2	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	127.8713	0.600	62	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	129.6390	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.5970	0.010	3	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	129.0490	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.4190	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	128.8290	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.3498	0.534	4	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	128.8350	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	129.0570	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.8560	0.000	1	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	126.7647	0.784	3	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.0665	0.593	2	128.2024	0.447	305	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]I)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	127.8950	0.000	1	127.8950	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	126.8810	0.000	1	126.2656	1.004	7	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	125.2270	0.000	1	126.2656	1.004	7	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	126.6390	0.000	1	126.2656	1.004	7	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	126.2780	1.215	4	126.2656	1.004	7	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]S)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]S)(H){2|H<1>,3|C<3>}	128.9460	0.000	1	128.9460	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.1280	0.000	1	128.1280	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	128.7263	0.374	3	128.7263	0.140	3	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	127.2320	0.000	1	127.2320	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8465	0.035	2	131.8465	0.001	2	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2672	0.415	4	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.3855	0.613	2	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.0805	0.182	2	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.8515	0.386	10	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	133.4080	1.013	4	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.1040	0.079	2	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.1250	0.000	1	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.6315	0.709	4	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.6060	0.000	1	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	133.1325	0.260	2	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.9423	0.412	3	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.7730	0.000	1	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.9830	0.000	1	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2285	0.692	2	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.2300	0.000	1	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.9770	0.000	1	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.1240	0.000	1	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.0860	0.163	2	132.1232	0.488	44	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.1450	0.000	1	131.7628	0.329	18	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.0700	0.000	1	131.7628	0.329	18	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2540	0.000	1	131.7628	0.329	18	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.4700	0.188	3	131.7628	0.329	18	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.6880	0.000	1	131.7628	0.329	18	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.1390	0.000	1	131.7628	0.329	18	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.7980	0.259	2	131.7628	0.329	18	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.9285	0.742	8	131.7628	0.329	18	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.4360	0.318	2	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.0320	0.000	1	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.1640	0.000	1	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.6173	0.373	4	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2340	0.000	1	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.6290	0.306	3	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.9198	1.260	6	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.9850	0.031	2	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.1583	0.377	4	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.6165	0.033	2	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2560	0.000	1	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.5655	0.566	4	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.6465	0.125	2	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.1520	0.000	1	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.9290	0.000	1	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.6453	0.804	6	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.8460	0.000	1	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.0185	0.844	12	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.5525	2.103	4	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.1460	0.000	1	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.8555	0.263	4	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.1840	0.441	2	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.4270	0.000	1	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.6670	0.000	1	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.9700	0.262	8	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.4455	0.706	2	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.6303	1.310	18	132.0009	0.879	95	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.5700	0.058	2	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.8570	0.000	1	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.2060	0.000	1	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.4068	0.253	6	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.0420	0.000	1	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.9050	0.000	1	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2899	0.655	8	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.7880	0.000	1	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.9844	0.343	7	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.6520	0.000	1	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	129.8230	0.153	2	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.2593	0.384	4	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.6440	0.000	1	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.3750	0.000	1	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.6340	0.000	1	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.3300	0.661	3	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.5320	0.000	1	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.4244	0.584	9	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2290	0.000	1	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.8874	0.460	10	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.9767	7.397	4	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.7342	0.875	30	131.7079	2.291	96	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.1375	0.537	6	131.1375	0.288	6	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	130.9300	0.000	1	132.3532	0.579	6	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.4130	0.129	2	132.3532	0.579	6	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.1000	0.000	1	132.3532	0.579	6	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.8890	0.000	1	132.3532	0.579	6	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.3740	0.000	1	132.3532	0.579	6	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.9333	0.746	3	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.9810	0.000	1	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.9640	0.000	1	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.9842	0.679	186	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.7396	0.256	7	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.7860	0.000	1	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.8050	0.963	2	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.5410	0.266	4	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.7205	0.261	2	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.1502	0.340	5	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	133.2392	1.089	6	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.0060	0.401	5	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.1807	0.727	3	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.3843	0.819	6	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.1755	0.293	2	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.3586	0.636	5	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.8143	0.674	3	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.3328	0.272	4	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.1707	0.568	8	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	131.0090	0.000	1	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.3137	0.758	18	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.8560	0.044	2	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.9708	0.435	4	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	134.0730	0.000	1	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.8855	0.040	2	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.5673	1.400	10	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.5563	0.193	3	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.7340	0.000	1	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2864	0.684	32	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.6010	0.349	2	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.7100	0.000	1	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.0894	0.622	23	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.8010	0.000	1	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.9963	0.119	3	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.9265	0.073	2	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.5489	0.695	12	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.1270	0.000	1	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.7788	0.577	4	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.7693	0.647	6	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.0420	0.000	1	132.0723	0.550	384	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	130.6120	1.196	2	130.6120	1.431	2	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	134.1910	0.000	1	134.1910	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,1|C<3>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	131.4280	0.000	1	131.4280	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.8455	0.250	2	132.5656	0.253	14	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1420	0.000	1	132.5656	0.253	14	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	132.3725	0.332	2	132.5656	0.253	14	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	132.6770	0.000	1	132.5656	0.253	14	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.2507	0.214	3	132.5656	0.253	14	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	132.2615	0.438	2	132.5656	0.253	14	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2840	0.000	1	132.5656	0.253	14	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	132.0520	0.461	2	132.5656	0.253	14	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	131.8620	0.628	2	131.8620	0.394	2	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.8979	0.305	14	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	132.3970	0.994	2	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	131.9200	0.000	1	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.9024	1.054	169	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2565	0.798	6	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.9343	0.231	3	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.2240	0.000	1	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.5502	0.256	6	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	134.7900	0.000	1	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	131.1780	1.488	2	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.8473	0.583	10	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.1720	0.000	1	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2903	0.529	3	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.4630	0.000	1	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.1610	0.000	1	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2420	0.484	5	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.2004	0.244	5	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.5660	0.000	1	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.5096	0.548	5	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.3340	0.000	1	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.5755	0.658	2	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	134.1300	0.215	2	131.9422	0.979	242	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	131.2280	0.000	1	131.2280	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	132.9250	0.000	1	132.4270	0.215	3	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1780	0.242	2	132.4270	0.215	3	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.8130	0.000	1	132.8130	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.6890	0.000	1	131.9535	0.679	4	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	130.8450	0.000	1	131.9535	0.679	4	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	132.1400	0.444	2	131.9535	0.679	4	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.6810	0.000	1	131.7948	0.278	81	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.1260	1.054	2	131.7948	0.278	81	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	132.6850	0.000	1	131.7948	0.278	81	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.0540	0.854	2	131.7948	0.278	81	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	132.1740	0.000	1	131.7948	0.278	81	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.8022	0.466	67	131.7948	0.278	81	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	133.1540	0.000	1	131.7948	0.278	81	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.5260	0.626	2	131.7948	0.278	81	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.5700	0.000	1	131.7948	0.278	81	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.5190	0.000	1	131.7948	0.278	81	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.8610	0.000	1	131.7948	0.278	81	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.5710	0.000	1	131.7948	0.278	81	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	131.6330	0.000	1	131.6330	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]S)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]S)(H){1|N<3>,2|C<3>,2|H<1>}	130.2460	0.000	1	130.2460	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2285	0.098	2	132.2285	0.010	2	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	132.0000	0.000	1	132.0000	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.9080	0.000	1	131.9080	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.0453	0.657	4	132.4544	0.793	14	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.6180	0.948	10	132.4544	0.793	14	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.7015	0.759	2	132.6817	0.206	4	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.6620	0.204	2	132.6817	0.206	4	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.4630	0.535	5	131.5722	1.700	8	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.0877	0.298	3	131.5722	1.700	8	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	131.8060	0.000	1	131.8060	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.8140	0.419	2	132.0471	0.985	32	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	129.2710	0.000	1	132.0471	0.985	32	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	134.1520	0.000	1	132.0471	0.985	32	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	132.1425	0.825	2	132.0471	0.985	32	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	132.9200	0.000	1	132.0471	0.985	32	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2167	0.408	3	132.0471	0.985	32	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.6010	0.000	1	132.0471	0.985	32	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.7620	0.776	12	132.0471	0.985	32	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.6460	0.346	2	132.0471	0.985	32	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.7020	0.065	2	132.0471	0.985	32	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.1410	0.000	1	132.0471	0.985	32	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2600	0.000	1	132.0471	0.985	32	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	133.0860	0.000	1	132.0471	0.985	32	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.8365	0.030	2	132.0471	0.985	32	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	130.9170	0.000	1	131.7503	0.610	3	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	132.1670	0.423	2	131.7503	0.610	3	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	131.5290	0.000	1	131.5290	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.4190	0.000	1	132.3761	0.224	9	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.3707	0.506	8	132.3761	0.224	9	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]N)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	132.6827	0.489	3	132.6827	0.239	3	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Pd)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pd<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Pd)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	133.6640	0.000	1	133.6640	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Re)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Re)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	134.1590	0.000	1	134.1590	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	133.3990	0.000	1	133.1433	0.477	3	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	133.6700	0.000	1	133.1433	0.477	3	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	132.3610	0.000	1	133.1433	0.477	3	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	125.5270	0.000	1	126.1124	0.228	5	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	126.7780	0.000	1	126.1124	0.228	5	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|P<2>,2|C<3>,2|H<1>}	126.2280	0.066	2	126.1124	0.228	5	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|P<2>,2|C<3>,2|H<1>}	125.8010	0.000	1	126.1124	0.228	5	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	127.0200	0.000	1	127.0200	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	126.6850	0.000	1	126.6850	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	126.6905	0.213	2	126.5047	0.964	7	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	126.4304	1.188	5	126.5047	0.964	7	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	126.8175	0.199	2	126.8175	0.039	2	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	127.6660	0.566	5	127.6660	0.320	5	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	128.1580	0.000	1	126.9090	0.387	38	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	127.4630	0.000	1	126.9090	0.387	38	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	125.6940	0.000	1	126.9090	0.387	38	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	126.7030	0.000	1	126.9090	0.387	38	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	126.9040	0.000	1	126.9090	0.387	38	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	127.4375	0.383	6	126.9090	0.387	38	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	126.5810	0.000	1	126.9090	0.387	38	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	126.7851	0.566	26	126.9090	0.387	38	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	126.3380	0.000	1	126.3380	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	126.9690	0.000	1	126.7425	0.115	6	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	127.2670	0.000	1	126.7425	0.115	6	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	126.5547	0.189	4	126.7425	0.115	6	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|S<2>,2|C<3>,2|H<1>}	126.5605	0.493	2	126.5605	0.243	2	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	126.8260	0.000	1	126.8260	0.000	1	130.3448	4.575	1869	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){1|C<4>,2|C<3>,2|H<1>}	128.7707	0.201	3	128.8280	0.040	4	128.8280	0.040	4	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	129.0000	0.000	1	128.8280	0.040	4	128.8280	0.040	4	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	130.7703	0.686	7	130.7703	0.471	7	131.6959	0.633	41	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	131.6527	0.556	6	131.9168	0.411	32	131.6959	0.633	41	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	132.1212	0.533	5	131.9168	0.411	32	131.6959	0.633	41	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	132.3231	0.694	7	131.9168	0.411	32	131.6959	0.633	41	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	131.9578	0.090	5	131.9168	0.411	32	131.6959	0.633	41	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	131.5203	0.977	3	131.9168	0.411	32	131.6959	0.633	41	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,3|N<3>}	131.2685	0.317	2	131.9168	0.411	32	131.6959	0.633	41	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	132.0273	0.965	3	131.9168	0.411	32	131.6959	0.633	41	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	131.5840	0.000	1	131.9168	0.411	32	131.6959	0.633	41	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	132.4130	0.000	1	132.4130	0.000	1	131.6959	0.633	41	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	130.3910	0.000	1	130.3910	0.000	1	131.6959	0.633	41	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:S-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(S)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	131.4860	0.000	1	131.4860	0.000	1	131.4860	0.000	1	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	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>}	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[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	131.9220	0.957	2	131.9220	0.917	2	131.9220	0.917	2	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	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>}	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|N<3>,2|H<1>,4|C<3>}	131.3560	0.000	1	131.3560	0.000	1	132.8160	4.263	2	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|O<2>,2|H<1>,4|C<3>}	134.2760	0.000	1	134.2760	0.000	1	132.8160	4.263	2	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	126.6150	0.000	1	126.6150	0.000	1	129.8603	2.558	15	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	127.4960	2.613	2	127.4960	6.830	2	129.8603	2.558	15	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	130.5248	0.424	12	130.5248	0.180	12	129.8603	2.558	15	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Cu<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	133.8180	3.630	4	133.8180	13.178	4	130.8073	2.624	55	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Fe<5>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	128.3370	0.000	1	128.3370	0.000	1	130.8073	2.624	55	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.0902	0.771	4	130.0902	0.594	4	130.8073	2.624	55	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Os)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Os)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.2853	0.496	6	130.2853	0.246	6	130.8073	2.624	55	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Re<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.5075	0.455	4	129.6657	1.003	10	130.8073	2.624	55	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Re<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	129.1045	0.858	6	129.6657	1.003	10	130.8073	2.624	55	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Br<1>,1|Ru<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	130.2230	0.000	1	130.2230	0.000	1	130.8073	2.624	55	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	131.0511	0.945	27	131.0511	0.893	27	130.8073	2.624	55	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Zn<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.2820	0.000	1	130.2820	0.000	1	130.8073	2.624	55	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	133.1760	0.000	1	133.1760	0.000	1	130.8073	2.624	55	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	128.3370	0.000	1	128.3370	0.000	1	128.8748	0.653	9	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	128.6637	0.212	4	128.6637	0.045	4	128.8748	0.653	9	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	128.3410	0.911	2	128.3410	0.829	2	128.8748	0.653	9	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|Cl<1>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	130.4330	0.000	1	130.4330	0.000	1	128.8748	0.653	9	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	129.7660	0.000	1	129.7660	0.000	1	128.8748	0.653	9	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	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)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.8770	0.000	1	130.8770	0.000	1	130.8770	0.000	1	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	131.9950	0.000	1	131.9950	0.000	1	131.8913	0.233	9	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	131.1090	0.000	1	131.8582	0.400	4	131.8913	0.233	9	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	132.3085	0.457	2	131.8582	0.400	4	131.8913	0.233	9	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	131.7070	0.000	1	131.8582	0.400	4	131.8913	0.233	9	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5a]C[5])(H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	132.2200	0.226	2	132.2200	0.051	2	131.8913	0.233	9	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	131.2740	0.000	1	131.5770	0.184	2	131.8913	0.233	9	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	131.8800	0.000	1	131.5770	0.184	2	131.8913	0.233	9	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|O<1>,3|C<3>}	131.4170	0.000	1	131.4170	0.000	1	131.4170	0.000	1	130.3620	4.415	2075	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OH)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	128.0715	1.677	2	128.0715	2.811	2	128.4363	1.256	4	128.3349	2.330	10	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	128.8010	0.652	2	128.8010	0.425	2	128.4363	1.256	4	128.3349	2.330	10	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	127.0590	0.000	2	127.0590	0.000	2	127.0590	0.000	2	128.3349	2.330	10	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NS)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NS){1|N<3>,2|C<3>,2|H<1>}	131.9410	0.000	1	131.9410	0.000	1	131.9410	0.000	1	128.3349	2.330	10	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	127.8483	0.305	3	127.8483	0.093	3	127.8483	0.093	3	128.3349	2.330	10	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]N[5])	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]N[5]){2|H<1>,7|C<3>}	127.7950	0.000	1	127.7950	0.000	1	127.7950	0.000	1	131.2022	3.677	8	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	131.1045	1.623	2	131.1045	2.634	2	131.1045	2.634	2	131.2022	3.677	8	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|N<3>,2|C<3>,2|H<1>}	132.0130	0.000	1	132.0130	0.000	1	131.6905	0.208	2	131.2022	3.677	8	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|N<3>,2|C<3>,2|H<1>}	131.3680	0.000	1	131.3680	0.000	1	131.6905	0.208	2	131.2022	3.677	8	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	133.2490	0.512	2	133.2490	0.262	2	133.2490	0.262	2	131.2022	3.677	8	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	129.7350	0.000	1	129.7350	0.000	1	129.7350	0.000	1	131.2022	3.677	8	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	127.7890	0.000	1	127.7890	0.000	1	127.3957	0.746	12	127.5810	1.130	13	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>,2|H<1>}	128.9900	0.000	1	128.9900	0.000	1	127.3957	0.746	12	127.5810	1.130	13	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	126.4675	0.600	2	126.4675	0.360	2	127.3957	0.746	12	127.5810	1.130	13	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	127.0600	0.000	1	127.0600	0.000	1	127.3957	0.746	12	127.5810	1.130	13	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3){2|H<1>,3|C<3>}	128.8780	0.000	1	128.8780	0.000	1	127.3957	0.746	12	127.5810	1.130	13	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	127.2755	0.490	4	127.1827	0.169	6	127.3957	0.746	12	127.5810	1.130	13	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	126.9000	0.000	1	127.1827	0.169	6	127.3957	0.746	12	127.5810	1.130	13	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	127.0940	0.000	1	127.1827	0.169	6	127.3957	0.746	12	127.5810	1.130	13	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]B)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H){1|B<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]B)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.8050	0.000	1	129.8050	0.000	1	129.8050	0.000	1	127.5810	1.130	13	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	131.8930	0.000	1	131.8930	0.000	1	128.4360	23.902	2	127.5747	6.297	22	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<2>,1|H<1>,2|C<3>}	124.9790	0.000	1	124.9790	0.000	1	128.4360	23.902	2	127.5747	6.297	22	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	130.5210	0.000	1	130.5210	0.000	1	130.8600	0.230	2	127.5747	6.297	22	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(NC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	131.1990	0.000	1	131.1990	0.000	1	130.8600	0.230	2	127.5747	6.297	22	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	127.9120	0.000	1	127.9120	0.000	1	127.7880	0.155	5	127.5747	6.297	22	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	127.7590	0.679	2	127.7590	0.461	2	127.7880	0.155	5	127.5747	6.297	22	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	127.7550	0.373	2	127.7550	0.139	2	127.7880	0.155	5	127.5747	6.297	22	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Ge[5]-2:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]Ge[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]Ge[5]){1|H<1>,5|C<3>}	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](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a,6a]2)(H){1|Ge<2>,1|N<3>,5|C<3>}	126.5885	0.844	6	126.5885	0.713	6	126.5885	0.713	6	127.5747	6.297	22	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:Ga[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(Ga[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<2>,1|H<1>,1|N<3>,2|C<3>}	125.3990	0.000	1	125.3990	0.000	1	125.3990	0.000	1	127.5747	6.297	22	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:In[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(In[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<2>,1|H<1>,1|N<3>,2|C<3>}	124.3430	0.000	1	124.3430	0.000	1	124.3430	0.000	1	127.5747	6.297	22	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Ga[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ga[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ga[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<2>,1|H<1>,1|N<3>,2|C<3>}	126.5890	0.000	1	126.5890	0.000	1	126.5890	0.000	1	127.5747	6.297	22	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Ge[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	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](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|H<1>,1|N<3>,2|C<3>}	126.9980	0.365	2	126.9980	0.133	2	126.9980	0.133	2	127.5747	6.297	22	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:In[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(In[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(In[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<2>,1|H<1>,1|N<3>,2|C<3>}	124.6550	0.000	1	124.6550	0.000	1	124.6550	0.000	1	127.5747	6.297	22	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	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](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	134.5980	0.000	1	134.5980	0.000	1	134.5980	0.000	1	127.5747	6.297	22	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	135.1760	0.000	1	135.1760	0.000	1	134.7148	0.143	4	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	134.8470	0.000	1	134.5610	0.073	3	134.7148	0.143	4	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	134.4180	0.151	2	134.5610	0.073	3	134.7148	0.143	4	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-3:	C[5,6a]-3:C[6a]-3: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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]C[5])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.4880	0.000	1	128.4880	0.000	1	128.4880	0.000	1	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]N[6])(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.9230	0.000	1	128.9230	0.000	1	131.3495	11.776	2	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-3:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	133.7760	0.000	1	133.7760	0.000	1	131.3495	11.776	2	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	126.1947	1.573	6	126.1947	2.475	6	126.9575	2.968	10	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	128.1018	1.367	4	128.1018	1.869	4	126.9575	2.968	10	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|C<4>,1|H<1>,3|C<3>}	130.0380	0.000	1	130.0380	0.000	1	130.0380	0.000	1	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	128.8670	0.000	1	128.8670	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.8456	0.526	5	128.6493	0.395	7	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	128.7020	0.000	1	128.6493	0.395	7	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	127.6150	0.000	1	128.6493	0.395	7	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.1208	0.330	17	129.1208	0.109	17	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.6940	0.000	1	129.6940	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	128.8123	0.239	4	128.8123	0.057	4	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.7185	0.477	2	128.7252	0.299	12	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.5111	0.562	7	128.7252	0.299	12	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	129.1965	0.271	2	128.7252	0.299	12	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.2940	0.000	1	128.7252	0.299	12	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.2150	0.000	1	128.2910	2.316	2	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.3670	0.000	1	128.2910	2.316	2	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CNO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.3767	0.113	6	129.3767	0.013	6	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	127.8720	0.000	1	127.8720	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.2960	0.000	1	128.9623	0.323	37	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	129.8060	0.000	1	128.9623	0.323	37	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.7343	0.356	4	128.9623	0.323	37	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.4730	0.711	2	128.9623	0.323	37	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.9705	0.453	17	128.9623	0.323	37	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	130.0930	0.000	1	128.9623	0.323	37	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	129.1410	1.131	3	128.9623	0.323	37	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.8257	0.517	8	128.9623	0.323	37	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	128.6650	0.339	2	128.9003	0.224	3	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	129.3710	0.000	1	128.9003	0.224	3	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	128.5920	0.000	1	128.5920	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	128.4440	0.008	2	128.4440	0.000	2	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	128.7365	0.210	2	128.7645	0.406	8	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.5700	0.622	5	128.7645	0.406	8	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.7930	0.000	1	128.7645	0.406	8	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[5,5,6]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.3640	0.000	1	128.0840	3.277	2	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[5,5,6]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	126.8040	0.000	1	128.0840	3.277	2	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	127.7740	0.320	2	127.7740	0.102	2	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	128.6230	0.000	1	128.9273	0.484	21	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.9195	0.625	16	128.9273	0.484	21	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	128.7630	0.000	1	128.9273	0.484	21	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.1253	1.336	3	128.9273	0.484	21	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){5|C<3>}	130.1850	0.262	2	130.1850	0.068	2	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	128.5740	0.000	1	128.5740	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.6280	0.000	1	129.6280	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.0660	0.000	1	129.0660	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.0915	0.182	4	129.2186	0.256	18	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.6970	0.000	1	129.2186	0.256	18	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	129.1160	0.000	1	129.2186	0.256	18	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.1435	0.463	2	129.2186	0.256	18	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.3990	0.000	1	129.2186	0.256	18	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	129.9500	0.419	2	129.2186	0.256	18	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.5790	0.000	1	129.2186	0.256	18	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	129.0584	0.730	5	129.2186	0.256	18	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.2980	0.000	1	129.2186	0.256	18	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	129.1080	0.000	1	128.8400	0.071	4	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.8715	0.169	2	128.8400	0.071	4	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	128.5090	0.000	1	128.8400	0.071	4	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CNO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	128.7200	0.000	1	128.7200	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a]C[6a])(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|S<2>,5|C<3>}	127.2820	0.000	1	127.2820	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	128.3830	0.634	2	128.5620	0.297	3	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	128.9200	0.000	1	128.5620	0.297	3	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.6960	0.000	1	129.0690	0.749	42	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.3882	1.126	17	129.0690	0.749	42	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	129.6810	0.000	1	129.0690	0.749	42	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	129.0170	0.000	1	129.0690	0.749	42	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.9792	0.274	6	129.0690	0.749	42	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.6500	0.000	1	129.0690	0.749	42	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.3410	0.000	1	129.0690	0.749	42	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.1710	0.000	1	129.0690	0.749	42	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	128.3754	0.300	9	129.0690	0.749	42	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,4|C<3>}	129.0190	0.000	1	129.0690	0.749	42	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.6170	0.000	1	129.0690	0.749	42	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	129.9255	0.455	2	129.0690	0.749	42	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.4050	0.000	1	131.4050	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	132.2190	0.000	1	132.2190	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	132.5190	0.000	1	132.5190	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	131.5400	0.000	1	131.5400	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.7310	0.000	1	132.7310	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.7340	0.000	1	132.7340	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CNS)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CNS){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	127.0560	0.000	1	127.0560	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	124.9470	0.000	1	124.9470	0.000	1	129.0172	0.850	209	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:P-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PN[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	131.5937	0.129	3	131.5937	0.017	3	131.5937	0.017	3	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SNi2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SNi2){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<3>,2|C<3>}	124.3650	0.000	1	124.3650	0.000	1	124.3650	0.000	1	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]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]){1|C<4>,2|H<1>,4|C<3>}	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|H<1>,1|N<3>,5|C<3>}	131.8930	0.000	1	131.8930	0.000	1	131.8930	0.000	1	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5,6]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5,6]C){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CC[6a]O){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.6570	0.000	1	127.6570	0.000	1	127.6570	0.000	1	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCN)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCN){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.0085	0.448	2	132.0085	0.200	2	132.1780	0.186	3	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(CCN)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ru<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(CCN){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.5170	0.000	1	132.5170	0.000	1	132.1780	0.186	3	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]O)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]O)(CC[6a]O){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	127.7795	1.357	2	127.7795	1.841	2	127.7795	1.841	2	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	129.5475	0.753	2	129.5475	0.567	2	129.5475	0.567	2	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:B[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]B[5,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]B[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,5]C[5])(C[6a]C[6a]2){2|Si<4>,4|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	126.5480	0.000	1	126.5480	0.000	1	126.5480	0.000	1	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[5]N[5])(C[6a]C[6a]2){3|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	127.6810	0.000	1	127.6810	0.000	1	127.6810	0.000	1	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:B[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]N[5,6])(C[5]S[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	129.2375	0.241	2	129.2375	0.058	2	129.2375	0.058	2	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru)(C[6]N[6]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.6160	0.000	1	129.6160	0.000	1	132.5493	1.773	8	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(C[6]N[6]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.2520	0.000	1	133.2520	0.000	1	132.5493	1.773	8	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(C[6]N[6]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.2005	0.564	2	133.2005	0.318	2	132.5493	1.773	8	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	131.5860	0.000	1	131.5860	0.000	1	132.5493	1.773	8	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(C[6]N[6]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.2480	0.030	2	133.2480	0.001	2	132.5493	1.773	8	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(C[6]N[6]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.0430	0.000	1	133.0430	0.000	1	132.5493	1.773	8	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.6060	0.000	1	128.6060	0.000	1	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.3880	0.000	1	128.3540	0.158	4	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.3427	0.486	3	128.3540	0.158	4	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.2820	0.000	1	131.5773	0.337	6	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	130.7790	0.000	1	131.5773	0.337	6	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.0930	0.000	1	131.5773	0.337	6	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.1180	0.000	1	131.5773	0.337	6	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.5960	0.267	2	131.5773	0.337	6	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.4415	0.431	2	131.1861	0.865	39	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.0653	0.923	15	131.1861	0.865	39	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	130.7830	1.045	2	131.1861	0.865	39	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.0252	0.658	11	131.1861	0.865	39	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.1515	0.175	2	131.1861	0.865	39	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	129.6400	0.000	1	131.1861	0.865	39	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.4348	0.554	6	131.1861	0.865	39	130.9549	1.469	50	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	132.2290	0.000	1	132.2290	0.000	1	133.1690	1.767	2	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(N[5]C[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	134.1090	0.000	1	134.1090	0.000	1	133.1690	1.767	2	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.1680	0.000	1	133.1680	0.000	1	131.9418	4.128	5	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.3890	0.000	1	132.3890	0.000	1	131.9418	4.128	5	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.9045	0.054	2	132.9045	0.003	2	131.9418	4.128	5	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]S[5]N)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	128.3430	0.000	1	128.3430	0.000	1	131.9418	4.128	5	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	130.7820	0.000	1	130.7820	0.000	1	131.7175	1.750	2	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]N[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	132.6530	0.000	1	132.6530	0.000	1	131.7175	1.750	2	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]B[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(B[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<2>,2|C<3>}	133.6170	0.000	1	133.6170	0.000	1	133.6170	0.000	1	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.8277	1.487	3	132.8277	2.211	3	134.4540	1.209	25	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	134.0710	0.667	3	134.0710	0.445	3	134.4540	1.209	25	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Mn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	134.9090	0.000	1	134.9090	0.000	1	134.4540	1.209	25	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	134.6320	0.000	1	135.5731	0.756	7	134.4540	1.209	25	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	134.9980	0.546	2	135.5731	0.756	7	134.4540	1.209	25	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	136.0960	0.730	4	135.5731	0.756	7	134.4540	1.209	25	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	134.3703	0.399	3	134.3703	0.159	3	134.4540	1.209	25	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	134.3010	0.243	5	134.2028	0.140	8	134.4540	1.209	25	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	134.0390	0.556	3	134.2028	0.140	8	134.4540	1.209	25	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.0200	0.328	4	132.0200	0.107	4	132.2402	0.323	5	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]N[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	133.1210	0.000	1	133.1210	0.000	1	132.2402	0.323	5	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]N)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]N){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	127.0570	0.000	1	127.0570	0.000	1	127.0570	0.000	1	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	127.6740	0.000	1	127.7292	0.100	5	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	127.7430	0.363	4	127.7292	0.100	5	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.8070	0.175	2	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.1330	0.000	1	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.5677	0.705	3	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.5640	0.000	1	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.4540	0.161	2	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	127.2420	0.570	3	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.8310	0.000	1	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	129.6880	0.000	1	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	128.0050	0.974	2	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.2550	0.000	1	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	129.1170	0.000	1	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.4627	0.097	3	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	128.2120	0.000	1	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	128.2350	0.000	1	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	128.5080	0.000	1	128.1622	0.478	24	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	129.2120	0.000	1	129.2120	0.000	1	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.2640	0.000	1	131.2640	0.000	1	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	135.4290	0.000	1	135.4290	0.000	1	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd){1|C<4>,1|H<1>,1|P<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.1573	0.715	3	132.1248	0.441	5	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.6820	0.000	1	132.1248	0.441	5	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<5>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd){1|C<4>,1|H<1>,1|P<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.4700	0.000	1	132.1248	0.441	5	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.4920	0.000	1	131.4920	0.000	1	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Fe<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.3988	0.189	9	132.4822	0.507	12	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Fe<8>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.7323	1.588	3	132.4822	0.507	12	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	131.9200	0.000	1	131.9200	0.000	1	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.2980	0.363	2	131.7466	0.315	5	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.3500	0.000	1	131.7466	0.315	5	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.3935	0.336	2	131.7466	0.315	5	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	131.1455	0.310	2	131.1455	0.096	2	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	132.2195	0.295	2	132.2195	0.087	2	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.0755	0.047	2	133.3457	2.586	43	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	130.5974	0.162	5	133.3457	2.586	43	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.6998	0.315	6	133.3457	2.586	43	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	134.5023	0.937	20	133.3457	2.586	43	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.2900	0.000	1	133.3457	2.586	43	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.2578	1.114	4	133.3457	2.586	43	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.4795	0.391	4	133.3457	2.586	43	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.2450	0.000	1	133.3457	2.586	43	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	130.6975	0.245	2	132.1214	2.796	8	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.9475	0.138	2	132.1214	2.796	8	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<6>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	130.4600	0.276	2	132.1214	2.796	8	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<6>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.3805	0.005	2	132.1214	2.796	8	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<6>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	135.0270	0.000	1	134.8585	0.057	2	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<8>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	134.6900	0.000	1	134.8585	0.057	2	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.9615	0.635	6	134.1117	0.270	11	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<7>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	134.2920	0.311	5	134.1117	0.270	11	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.6580	0.102	2	131.6789	1.454	16	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	130.7523	0.809	3	131.6789	1.454	16	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.9060	0.507	4	131.6789	1.454	16	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	130.1480	0.447	2	131.6789	1.454	16	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.2875	1.669	4	131.6789	1.454	16	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<7>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.2200	0.000	1	131.6789	1.454	16	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pt){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.7045	1.548	2	132.7045	2.396	2	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Rh<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.0877	0.189	3	131.5354	0.472	5	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Rh<6>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.2070	0.559	2	131.5354	0.472	5	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	133.7210	1.579	3	133.7210	2.493	3	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	133.9480	0.000	1	133.9480	0.000	1	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	130.6060	0.000	1	130.1965	0.082	4	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	130.0600	0.108	3	130.1965	0.082	4	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.5740	0.000	1	132.5740	0.000	1	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.6642	0.556	6	132.6642	0.309	6	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.9715	0.173	2	132.9715	0.030	2	131.8650	5.083	164	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	130.4650	0.000	1	130.4650	0.000	1	130.4650	0.000	1	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Ga[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ga[5]N[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H){1|Fe<5>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ga[5]N[5]Fe){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<3>,1|H<1>,1|N<3>,2|C<3>}	125.5670	0.000	1	125.5670	0.000	1	125.5670	0.000	1	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(P[5]N[5]N)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(P[5]N[5]N){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	129.1380	0.000	1	129.1380	0.000	1	129.1380	0.000	1	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:Ga[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]N[5]Fe)(C[5]N[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<3>,1|H<1>,1|N<3>,2|C<3>}	125.5240	0.000	1	125.5240	0.000	1	125.5240	0.000	1	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	128.6370	0.000	1	128.6370	0.000	1	128.6370	0.000	1	130.5525	5.488	512	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]C)(CCHH)	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>}	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[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]C)(CCHH){5|C<3>}	132.3720	0.000	1	132.3720	0.000	1	132.3720	0.000	1	132.3720	0.000	1	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	135.4170	0.000	1	135.4170	0.000	1	135.4170	0.000	1	135.4170	0.000	1	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	133.2905	0.012	2	133.2905	0.000	2	133.2905	0.000	2	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	130.3765	0.023	2	130.3765	0.001	2	130.8940	0.278	12	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O)(CH3)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	130.6395	0.021	2	130.6395	0.000	2	130.8940	0.278	12	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3: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)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	130.7995	0.112	2	131.1517	0.378	3	130.8940	0.278	12	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3: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)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	131.8560	0.000	1	131.1517	0.378	3	130.8940	0.278	12	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3: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)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	131.1200	0.589	3	131.0482	0.329	5	130.8940	0.278	12	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3: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)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	130.9405	0.764	2	131.0482	0.329	5	130.8940	0.278	12	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(H)	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>}	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[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	132.7520	0.000	1	132.7520	0.000	1	132.7520	0.000	1	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	134.6400	0.000	1	133.0793	1.482	4	132.9866	0.826	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	133.0360	0.000	1	133.0793	1.482	4	132.9866	0.826	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	132.3205	0.926	2	133.0793	1.482	4	132.9866	0.826	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	132.8940	0.649	4	132.8940	0.422	4	132.9866	0.826	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.0670	0.000	1	131.0670	0.000	1	131.0670	0.000	1	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5,5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.8647	0.830	3	130.8647	0.690	3	130.8285	0.508	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.0135	0.326	2	131.0135	0.106	2	130.8285	0.508	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.8460	0.112	2	130.8460	0.012	2	130.8285	0.508	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.2690	0.000	1	130.2690	0.000	1	130.8285	0.508	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2640	0.000	1	132.2640	0.000	1	130.8285	0.508	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	130.4280	0.000	1	130.4280	0.000	1	130.8285	0.508	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.8400	0.000	1	129.8400	0.000	1	130.8285	0.508	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5,6])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	126.9980	0.000	1	126.9980	0.000	1	126.9980	0.000	1	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1280	0.000	1	128.1280	0.000	1	129.9587	1.898	7	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.3980	0.000	2	129.3980	0.000	2	129.9587	1.898	7	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.5040	0.000	1	132.5040	0.000	1	129.9587	1.898	7	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	130.5070	0.000	1	130.0943	0.436	3	129.9587	1.898	7	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	130.4430	0.000	1	130.0943	0.436	3	129.9587	1.898	7	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	129.3330	0.000	1	130.0943	0.436	3	129.9587	1.898	7	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	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>}	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	130.8800	0.000	1	130.8800	0.000	1	130.8800	0.000	1	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:P-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PNNO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	128.9180	0.750	2	128.9180	0.562	2	128.9180	0.562	2	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	127.5440	0.000	1	127.5440	0.000	1	127.5440	0.000	1	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	128.2250	0.000	1	128.2250	0.000	1	130.5963	4.264	46	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(BC[6a]3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	130.9288	0.441	4	130.9288	0.195	4	130.5963	4.264	46	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BC[6a]2C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	131.4010	0.000	1	131.4010	0.000	1	130.5963	4.264	46	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BC[6a]3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	132.1100	0.157	2	132.1100	0.025	2	130.5963	4.264	46	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BF3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	131.3865	0.532	2	131.3865	0.284	2	130.5963	4.264	46	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(BN[5]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	132.3289	0.335	12	132.3289	0.112	12	130.5963	4.264	46	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(BN[5]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	130.7930	0.000	1	130.7930	0.000	1	130.5963	4.264	46	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(BN[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	131.1900	0.562	3	131.1900	0.316	3	130.5963	4.264	46	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	130.7883	1.158	4	131.0303	0.606	10	130.5963	4.264	46	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	131.1917	0.457	6	131.0303	0.606	10	130.5963	4.264	46	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	130.8055	0.009	2	130.8055	0.000	2	130.5963	4.264	46	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	126.7718	0.909	6	126.7718	0.827	6	130.5963	4.264	46	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	126.1215	0.261	2	126.1215	0.068	2	130.5963	4.264	46	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	127.0100	0.049	2	127.0100	0.002	2	130.2209	1.460	21	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])2(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])2(H){2|C<4>,2|N<3>,3|C<3>}	130.7145	0.866	2	130.7145	0.750	2	130.2209	1.460	21	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])2(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])2(H){2|C<4>,2|N<3>,3|C<3>}	130.1420	0.025	2	130.1420	0.001	2	130.2209	1.460	21	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	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>}	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[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	130.8483	0.354	4	130.8483	0.125	4	130.2209	1.460	21	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])2(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])2(H){2|C<4>,2|N<3>,3|C<3>}	130.2075	0.278	6	130.2075	0.077	6	130.2209	1.460	21	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	131.5550	0.000	1	131.5550	0.000	1	130.2209	1.460	21	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])2(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])2(H){2|C<4>,2|N<3>,3|C<3>}	130.2085	1.207	2	130.2085	1.457	2	130.2209	1.460	21	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|C<4>,2|N<3>,3|C<3>}	131.1475	0.209	2	131.1475	0.044	2	130.2209	1.460	21	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	131.2310	0.544	2	131.2310	0.296	2	131.5226	0.194	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	131.8860	0.000	1	132.0865	0.080	2	131.5226	0.194	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	132.2870	0.000	1	132.0865	0.080	2	131.5226	0.194	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	131.5940	0.000	1	131.5940	0.000	1	131.5226	0.194	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	131.4020	0.000	1	131.4020	0.000	1	131.5226	0.194	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	131.4030	0.000	1	131.4030	0.000	1	131.5226	0.194	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|Br<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	131.1470	0.000	1	131.1470	0.000	1	131.5226	0.194	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	130.4700	0.000	1	130.4700	0.000	1	131.4119	0.959	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	131.6120	0.000	1	131.6120	0.000	1	131.4119	0.959	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	130.4420	0.000	1	131.7490	3.416	2	131.4119	0.959	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|Cl<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	133.0560	0.000	1	131.7490	3.416	2	131.4119	0.959	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	131.7500	0.000	1	131.7500	0.000	1	131.4119	0.959	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>,2|C<4>}	131.0130	0.774	2	131.0130	0.598	2	131.4119	0.959	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	131.7990	0.000	1	131.4015	0.316	2	131.4119	0.959	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	131.0040	0.000	1	131.4015	0.316	2	131.4119	0.959	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,3|C<3>}	129.7230	0.000	1	129.7230	0.000	1	131.4119	0.959	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>,2|C<4>}	130.3820	0.000	1	130.3820	0.000	1	131.4119	0.959	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	132.9220	0.000	1	132.9220	0.000	1	131.4119	0.959	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	131.6120	0.000	1	131.6120	0.000	1	131.4119	0.959	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	132.1900	0.253	2	132.1900	0.064	2	131.4119	0.959	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	128.9640	0.000	1	128.9640	0.000	1	129.1724	3.051	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|F<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	130.2820	0.000	1	130.2820	0.000	1	129.1724	3.051	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]F)(F)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]F)(F){2|C<4>,3|C<3>}	126.5310	0.776	2	126.5310	0.603	2	129.1724	3.051	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	129.8500	0.093	2	129.8500	0.009	2	129.1724	3.051	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	130.6855	0.146	2	130.6855	0.021	2	129.1724	3.051	8	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0750	0.359	2	128.0750	0.129	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9550	0.000	1	128.0910	0.083	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.4210	0.000	1	128.0910	0.083	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.8970	0.000	1	128.0910	0.083	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	128.0435	0.286	2	128.0722	0.469	9	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.8290	0.156	2	128.0722	0.469	9	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	128.1190	0.000	1	128.0722	0.469	9	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.6965	0.802	4	128.0722	0.469	9	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.8855	0.418	2	128.0159	0.346	15	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1593	0.814	3	128.0159	0.346	15	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	127.6590	0.000	1	128.0159	0.346	15	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.7451	0.364	8	128.0159	0.346	15	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	128.3700	0.000	1	128.0159	0.346	15	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9885	0.226	2	127.9885	0.051	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	127.6360	0.000	1	127.6360	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.2690	0.000	1	127.3345	0.009	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	127.4000	0.000	1	127.3345	0.009	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.1940	0.000	1	127.1940	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CHHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.8610	0.000	1	127.8610	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.0360	0.000	1	129.0360	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1057	0.700	3	128.1057	0.490	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	127.6110	0.000	1	127.6110	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.7690	0.000	1	128.1566	0.399	32	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.8637	0.558	14	128.1566	0.399	32	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.4630	0.000	1	128.1566	0.399	32	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2463	0.905	3	128.1566	0.399	32	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.7540	0.000	2	128.1566	0.399	32	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.3580	0.000	1	128.1566	0.399	32	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.5100	0.000	1	128.1566	0.399	32	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.5785	0.732	4	128.1566	0.399	32	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.6690	0.000	1	128.1566	0.399	32	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.9043	0.446	3	128.1566	0.399	32	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.8750	0.000	1	128.1566	0.399	32	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.4250	0.000	1	127.4250	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.4820	0.000	1	128.4820	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.9930	0.000	1	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.0580	0.000	1	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	129.0690	0.000	1	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0220	0.512	6	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.1580	0.000	1	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	127.4885	0.408	2	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9377	0.644	36	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	128.3140	0.004	3	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9630	0.000	1	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.9720	0.000	1	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.1340	0.000	1	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.8479	0.648	15	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	126.9120	0.437	2	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.9810	0.000	1	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4900	0.000	1	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.1538	0.416	13	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	127.9451	0.481	7	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9268	0.511	31	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	128.5557	0.458	3	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0070	0.315	3	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.3970	1.642	2	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0551	0.562	8	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0070	0.000	1	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.0170	0.000	1	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	127.5890	0.000	1	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4883	0.650	6	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9030	0.000	1	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	128.5030	0.000	1	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.6560	1.032	2	128.0046	0.370	153	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	127.5780	0.000	1	127.5780	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	127.9040	0.000	1	127.9040	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.4800	0.000	1	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0038	0.452	6	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.7510	0.359	4	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0764	0.633	30	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.8710	0.000	1	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.5200	0.844	2	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	128.6985	0.521	2	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1110	0.403	22	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	127.4110	0.536	2	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.4860	0.000	1	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.7810	0.000	1	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.5400	0.000	1	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.5900	0.000	1	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	127.7165	0.166	2	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.7842	0.577	26	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	127.3130	0.000	1	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	128.4155	0.432	2	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2595	0.244	2	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.4206	0.860	8	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2300	0.595	23	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0460	0.000	1	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.4950	0.000	1	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.3630	0.000	1	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	128.4430	0.000	1	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2870	0.397	4	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.3055	0.418	6	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.5790	0.001	2	128.0870	0.353	154	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	129.5110	0.000	1	128.3725	0.657	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1510	0.307	2	128.3725	0.657	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.6770	0.000	1	128.3725	0.657	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	129.1350	0.000	1	129.1350	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.5650	0.000	1	127.5650	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.5270	0.000	1	129.0065	0.460	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	129.4860	0.000	1	129.0065	0.460	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.9945	0.086	2	128.4724	0.347	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1140	0.631	3	128.4724	0.347	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	129.7860	0.000	1	128.4724	0.347	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4550	0.000	1	128.4724	0.347	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	128.3840	0.000	1	128.4724	0.347	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.7130	0.000	1	128.4724	0.347	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	128.2930	0.000	1	128.4724	0.347	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9437	0.494	3	128.4724	0.347	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.9685	0.303	2	128.4724	0.347	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.7436	0.461	5	128.4724	0.347	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	129.2460	0.051	2	129.2460	0.003	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	129.6230	0.000	1	131.2120	5.050	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	132.8010	0.000	1	131.2120	5.050	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	126.9100	0.000	1	127.3795	0.441	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	127.8490	0.000	1	127.3795	0.441	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	126.9780	0.000	1	126.9780	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.6430	0.000	1	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.3657	0.286	3	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	128.0370	0.000	1	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9836	0.524	5	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	128.3047	0.933	3	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.1965	0.695	2	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.1950	1.295	3	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4400	0.000	1	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.0360	0.544	8	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9829	0.402	9	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	128.0422	0.513	4	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.3430	0.000	1	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.4106	0.651	5	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	128.2405	0.176	2	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1945	0.384	13	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	128.4044	0.544	5	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2230	0.000	1	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.7320	0.000	1	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	128.7000	0.000	1	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.8720	0.000	1	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.3815	0.500	2	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	128.7550	0.000	1	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.7338	0.587	6	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	128.5640	0.000	1	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	129.7300	0.000	1	128.2531	0.320	81	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	127.4030	0.000	1	127.4030	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.3490	0.000	2	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.0480	0.000	1	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.3557	0.381	3	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.7200	0.192	2	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.4393	0.155	3	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.5980	0.000	1	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.9320	0.728	2	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2512	0.280	5	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	129.1725	0.305	2	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2377	0.563	3	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.9040	0.000	1	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0145	0.374	18	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	128.9570	0.000	1	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1970	0.000	1	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4286	0.391	11	128.1675	0.399	56	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	126.7680	0.000	1	127.3470	0.670	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	127.9260	0.000	1	127.3470	0.670	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.6890	0.000	1	128.6890	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]S)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.7330	0.000	1	128.7330	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	126.3245	0.661	2	126.6903	0.228	8	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	126.8122	0.401	6	126.6903	0.228	8	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	126.7907	0.452	7	126.7907	0.204	7	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]CH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.1890	0.000	1	129.1890	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2985	0.423	4	128.5403	0.283	37	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.0815	0.218	2	128.5403	0.283	37	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.5484	0.543	27	128.5403	0.283	37	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	127.9440	0.000	1	128.5403	0.283	37	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	128.6277	0.618	3	128.5403	0.283	37	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.3758	0.696	4	128.3758	0.485	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2215	0.122	2	128.4523	0.279	44	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.4660	0.013	2	128.4523	0.279	44	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4744	0.514	37	128.4523	0.279	44	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	127.7115	0.237	2	128.4523	0.279	44	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.5510	0.000	1	128.4523	0.279	44	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4690	0.365	2	128.6930	0.112	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.9170	0.044	2	128.6930	0.112	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.6880	0.000	1	128.6880	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2810	0.000	1	127.9507	0.105	8	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.4840	0.000	1	127.9507	0.105	8	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.1070	0.000	1	127.9507	0.105	8	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9920	0.513	2	127.9507	0.105	8	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0090	0.000	1	127.9507	0.105	8	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0920	0.000	1	127.9507	0.105	8	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	127.6490	0.000	1	127.9507	0.105	8	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	128.3325	0.736	2	128.3325	0.542	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.5410	0.000	1	128.4008	0.579	11	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	128.8665	1.001	2	128.4008	0.579	11	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.5395	0.719	2	128.4008	0.579	11	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	128.3427	0.780	6	128.4008	0.579	11	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	127.2305	0.176	2	127.2305	0.031	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0310	0.000	1	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.6803	0.425	3	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.7210	0.000	1	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.3826	0.306	11	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.7650	0.126	2	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4170	0.000	1	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	129.2735	0.663	2	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	128.2815	0.033	2	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.2620	0.000	1	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	128.5240	0.000	1	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	128.1361	0.171	7	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	128.4063	0.315	3	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.1241	0.378	17	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	128.0180	0.559	2	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	128.5607	0.539	3	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.7513	0.204	3	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2137	0.639	3	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	127.7465	0.216	2	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	127.0670	0.000	1	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.4136	0.972	8	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	128.2540	0.000	1	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4815	0.042	2	128.1146	0.326	77	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	127.9610	0.000	1	127.1645	1.269	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	126.3680	0.000	1	127.1645	1.269	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.6540	0.000	1	127.6540	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	127.7550	0.000	1	127.8628	0.040	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.9110	0.322	2	127.8628	0.040	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.8740	0.000	1	127.8628	0.040	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.2290	0.000	1	129.4265	0.601	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.8040	0.397	2	129.4265	0.601	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.4690	0.000	1	129.4265	0.601	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	130.8510	0.000	1	129.4265	0.601	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.4020	0.000	1	129.4265	0.601	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]CH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.7850	0.000	1	128.7850	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	126.6608	0.186	4	126.9996	0.253	9	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	128.0240	0.000	1	126.9996	0.253	9	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	126.9060	0.000	1	126.9996	0.253	9	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	127.0995	0.578	2	126.9996	0.253	9	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	127.2240	0.000	1	126.9996	0.253	9	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	128.3550	0.000	1	128.3360	0.001	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	128.3170	0.000	1	128.3360	0.001	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	127.7600	0.000	1	127.8503	0.007	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	127.8860	0.000	1	127.8503	0.007	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	127.8020	0.000	1	127.8503	0.007	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	127.9530	0.000	1	127.8503	0.007	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.2110	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.7910	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.7055	0.272	2	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.9180	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0465	0.516	19	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.4294	0.609	8	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	127.6260	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	127.6930	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1318	0.263	15	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	129.4830	0.149	3	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	128.0000	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.4150	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	128.1200	0.912	2	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9105	1.177	2	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.7710	0.624	3	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	128.0360	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1524	0.486	7	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	129.4380	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.0890	0.392	2	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.8200	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	127.3200	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	128.1610	0.246	2	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.1620	0.449	10	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	127.8110	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	128.0237	1.151	3	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	128.2043	0.086	3	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	128.8360	0.129	4	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	127.5280	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	128.0050	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.8828	0.647	11	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	127.5905	1.005	2	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2610	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.5600	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.3253	0.542	8	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	127.8150	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.8452	0.442	4	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.1640	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	127.1720	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.7146	0.601	13	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	127.7970	1.160	2	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.6945	0.414	2	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.3377	0.220	4	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1450	0.664	4	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.3010	0.000	1	128.0884	0.366	155	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	127.1155	0.245	2	126.9143	0.285	7	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	127.8760	0.000	1	126.9143	0.285	7	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	126.3190	0.000	1	126.9143	0.285	7	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	126.6580	0.214	3	126.9143	0.285	7	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CClHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.7810	0.000	1	127.7810	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	127.7680	0.000	1	127.7680	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	127.4810	0.000	1	127.2783	0.031	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	127.1780	0.000	1	127.2783	0.031	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	127.1760	0.000	1	127.2783	0.031	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	127.8870	0.269	2	128.0587	0.125	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	128.4020	0.000	1	128.0587	0.125	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0850	0.860	2	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.0040	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.3150	0.389	2	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.1820	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1310	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.1000	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.6231	1.249	10	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	128.8400	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.2550	0.563	10	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	127.5205	0.979	2	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	128.2390	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.5370	0.933	13	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	128.0560	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.7787	0.392	3	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.5870	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	128.4910	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1044	0.526	18	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9800	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.3385	0.688	2	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1386	0.527	9	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.8450	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	125.7340	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	128.4223	0.872	3	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.5057	0.501	12	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	127.8690	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	126.9760	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9660	0.163	2	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.5430	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.7710	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.0735	0.724	8	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.9500	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.7020	0.280	2	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9685	0.742	19	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	129.2170	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.4290	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	127.6300	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.8716	0.289	5	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	127.4870	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.0480	0.437	2	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.7865	0.121	2	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	128.2870	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0427	0.429	28	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	128.7080	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.9025	0.070	2	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.1960	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1870	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.6415	0.062	2	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.3860	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	127.0530	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.3410	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	127.7460	0.195	2	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4680	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.4940	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.2963	0.668	3	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1980	0.597	4	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9815	0.062	2	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	127.6840	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	127.8850	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.9499	0.532	26	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	128.0450	0.314	2	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	128.6820	0.000	1	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0990	0.572	7	128.0032	0.483	237	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)(H){2|C<3>,2|C<4>}	129.4920	0.000	1	129.4920	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.8970	0.000	1	127.8970	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHS)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	128.2720	0.000	1	128.2720	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CN[6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.9220	0.000	1	127.9220	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.8515	0.441	2	128.8515	0.194	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Yb)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Yb<12>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Yb)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	130.0370	0.018	2	130.0370	0.000	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.5300	0.000	1	129.5300	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7390	0.902	2	131.7390	0.814	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5510	0.000	1	131.5510	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.8895	0.206	2	130.8895	0.042	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8770	0.816	2	131.8770	0.666	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	130.3300	0.637	4	130.3300	0.406	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.7300	0.921	2	130.6378	0.938	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1380	0.300	2	130.6378	0.938	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4530	0.000	1	130.6378	0.938	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.8780	0.000	1	130.6335	0.210	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.2970	0.400	2	130.6335	0.210	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.0620	0.000	1	130.6335	0.210	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.9030	0.268	4	131.1278	0.132	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4700	0.000	1	131.1278	0.132	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	130.9160	0.000	1	131.1278	0.132	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.0880	0.000	1	131.1278	0.132	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2155	0.435	2	131.1278	0.132	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7610	0.000	1	131.1278	0.132	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.9435	0.371	2	130.9435	0.138	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	131.6780	0.000	1	131.4675	0.089	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	131.2570	0.000	1	131.4675	0.089	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6190	0.000	1	131.3622	0.646	16	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.8068	0.400	4	131.3622	0.646	16	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.0730	0.000	1	131.3622	0.646	16	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4750	0.748	2	131.3622	0.646	16	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.2850	0.000	1	131.3622	0.646	16	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1073	0.615	3	131.3622	0.646	16	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2590	0.290	2	131.3622	0.646	16	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.4010	0.171	2	131.3622	0.646	16	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2015	0.609	2	131.6782	1.520	49	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7183	0.081	3	131.6782	1.520	49	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.8610	0.000	1	131.6782	1.520	49	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7980	0.190	2	131.6782	1.520	49	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1167	0.392	3	131.6782	1.520	49	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1286	2.858	7	131.6782	1.520	49	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2050	0.093	3	131.6782	1.520	49	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.9398	0.253	5	131.6782	1.520	49	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6707	1.064	15	131.6782	1.520	49	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1250	0.000	1	131.6782	1.520	49	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2630	0.789	3	131.6782	1.520	49	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4193	0.165	4	131.6782	1.520	49	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.6320	0.000	1	132.6320	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8040	0.171	2	131.6292	0.188	26	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.9828	0.372	6	131.6292	0.188	26	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2050	0.412	4	131.6292	0.188	26	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	131.2870	0.824	2	131.6292	0.188	26	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	131.1380	0.000	1	131.6292	0.188	26	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1550	0.000	1	131.6292	0.188	26	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6507	0.263	3	131.6292	0.188	26	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	131.6780	0.000	1	131.6292	0.188	26	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7845	0.262	2	131.6292	0.188	26	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6180	0.229	2	131.6292	0.188	26	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1130	0.000	1	131.6292	0.188	26	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6190	0.000	1	131.6292	0.188	26	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.5690	0.000	1	131.8684	0.633	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3460	0.561	2	131.8684	0.633	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3083	0.421	3	131.8684	0.633	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.3730	0.000	1	131.8684	0.633	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.0417	0.589	3	131.8684	0.633	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.0955	0.723	2	131.6427	0.776	27	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2840	0.297	6	131.6427	0.776	27	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1815	0.258	2	131.6427	0.776	27	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2830	0.000	1	131.6427	0.776	27	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2740	0.000	1	131.6427	0.776	27	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6533	1.275	8	131.6427	0.776	27	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4330	0.000	1	131.6427	0.776	27	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.6217	0.694	4	131.6427	0.776	27	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6955	0.320	2	131.6427	0.776	27	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.5267	0.363	4	132.5267	0.132	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Al)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Al)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.4348	0.332	4	132.4348	0.110	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.3530	0.454	2	132.1440	0.129	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.9350	0.071	2	132.1440	0.129	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6314	0.235	14	131.6314	0.055	14	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2760	0.224	4	132.2987	0.120	19	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.3048	0.378	15	132.2987	0.120	19	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.3650	0.735	2	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.8213	0.382	3	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1390	0.000	1	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3198	0.371	11	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7970	0.377	10	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8915	0.417	4	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.3645	0.183	2	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.0540	0.000	1	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.7063	0.955	4	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6560	0.651	2	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.9470	0.270	8	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4557	0.691	4	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1210	0.000	1	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7895	0.736	2	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.0825	0.221	2	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3100	0.300	3	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.9520	0.000	1	131.6468	0.418	61	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8640	0.000	1	131.8640	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5160	1.319	2	131.7246	0.249	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4780	0.279	5	131.7246	0.249	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2220	0.136	2	131.7246	0.249	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8707	0.413	4	131.7246	0.249	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.9070	0.182	2	131.7246	0.249	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4415	0.872	2	131.7246	0.249	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8153	0.258	3	131.7246	0.249	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1403	0.272	8	131.5066	0.595	107	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.8950	0.000	1	131.5066	0.595	107	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4695	0.239	4	131.5066	0.595	107	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	133.0590	0.595	2	131.5066	0.595	107	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.6740	0.487	14	131.5066	0.595	107	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1451	0.660	29	131.5066	0.595	107	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.9589	0.719	8	131.5066	0.595	107	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2905	0.295	2	131.5066	0.595	107	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8734	0.530	9	131.5066	0.595	107	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5090	0.021	2	131.5066	0.595	107	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8899	0.391	16	131.5066	0.595	107	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.7660	1.097	2	131.5066	0.595	107	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4980	0.983	8	131.5066	0.595	107	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3305	0.305	2	131.5066	0.595	107	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2250	0.000	1	131.9615	0.139	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6980	0.000	1	131.9615	0.139	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2506	0.719	8	132.2506	0.517	8	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.4307	0.522	6	132.4307	0.272	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2590	0.177	2	132.0967	0.222	12	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.9618	0.605	6	132.0967	0.222	12	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2177	0.347	4	132.0967	0.222	12	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.3585	0.445	2	132.3585	0.198	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.9850	2.185	2	130.9850	4.774	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1546	0.418	9	131.8370	0.558	13	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.2590	0.000	1	131.8370	0.558	13	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<8>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4103	0.823	3	131.8370	0.558	13	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7331	0.525	19	131.7331	0.276	19	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	131.9220	0.076	2	131.9220	0.006	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5681	0.446	123	131.5692	0.250	151	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7093	0.308	3	131.5692	0.250	151	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.9802	0.330	6	131.5692	0.250	151	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	131.1420	0.000	1	131.5692	0.250	151	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.3980	0.000	1	131.5692	0.250	151	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7145	0.313	2	131.5692	0.250	151	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.0780	0.000	1	131.5692	0.250	151	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7395	0.534	4	131.5692	0.250	151	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.9740	0.334	2	131.5692	0.250	151	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.7644	0.469	8	131.5692	0.250	151	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	131.8360	0.000	1	131.8360	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3875	0.216	2	131.3875	0.047	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7415	0.398	2	131.7415	0.158	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	131.4050	0.000	1	131.4050	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1390	0.000	1	132.1390	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	132.6370	0.000	1	132.1295	0.368	12	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	131.9578	0.216	5	132.1295	0.368	12	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	132.1880	0.829	6	132.1295	0.368	12	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4431	0.577	61	131.5984	0.544	112	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5737	0.510	12	131.5984	0.544	112	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4808	0.243	4	131.5984	0.544	112	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8480	0.363	2	131.5984	0.544	112	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	134.0270	0.000	1	131.5984	0.544	112	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.8084	0.886	5	131.5984	0.544	112	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4480	0.092	2	131.5984	0.544	112	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6543	0.859	17	131.5984	0.544	112	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1597	0.561	6	131.5984	0.544	112	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.2230	0.161	2	131.5984	0.544	112	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	131.1947	0.824	4	131.1947	0.678	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	131.6590	0.000	1	131.8265	0.056	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	131.9940	0.000	1	131.8265	0.056	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2560	0.261	3	131.5097	0.097	29	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6232	0.352	14	131.5097	0.097	29	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1260	0.000	1	131.5097	0.097	29	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6075	0.192	2	131.5097	0.097	29	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5210	0.064	2	131.5097	0.097	29	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2770	0.178	2	131.5097	0.097	29	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6940	0.000	1	131.5097	0.097	29	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5160	0.000	1	131.5097	0.097	29	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3145	0.354	2	131.5097	0.097	29	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	131.5120	0.000	1	131.5097	0.097	29	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4840	0.000	1	131.4840	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5667	0.334	4	131.5667	0.112	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.9847	0.424	3	131.7860	0.291	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	131.4880	0.713	2	131.7860	0.291	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	133.3210	0.000	1	133.3210	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.6882	0.779	6	132.6882	0.607	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	132.0015	0.483	2	132.0015	0.233	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5570	0.666	2	131.6422	0.627	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.0690	0.000	1	131.6422	0.627	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.9980	0.000	1	131.6422	0.627	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.0152	0.529	4	131.6422	0.627	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<9>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.0900	0.598	2	131.6422	0.627	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6,6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3717	1.363	4	131.3717	1.859	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	132.7040	0.663	3	132.8648	0.268	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	133.1060	0.014	2	132.8648	0.268	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.6835	0.537	6	130.9999	0.461	11	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4830	0.738	4	130.9999	0.461	11	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.9660	0.000	1	130.9999	0.461	11	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	130.8770	0.000	1	131.5830	0.997	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	132.2890	0.000	1	131.5830	0.997	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<3>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5645	0.319	2	130.9980	1.282	35	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1903	0.347	3	130.9980	1.282	35	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.8905	0.524	2	130.9980	1.282	35	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6425	0.575	6	130.9980	1.282	35	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.3882	1.112	18	130.9980	1.282	35	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.4017	0.909	4	130.9980	1.282	35	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.7565	0.327	2	130.7565	0.107	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CH3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1140	0.000	1	132.1140	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5987	0.444	4	131.7840	0.319	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	132.5250	0.000	1	131.7840	0.319	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2770	0.000	1	131.2770	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4767	0.167	4	131.4767	0.028	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7072	0.343	4	131.1172	0.960	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.3040	0.000	1	131.1172	0.960	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.5700	0.000	1	131.1172	0.960	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.5621	0.363	11	132.5621	0.132	11	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8929	0.659	15	131.9225	0.388	17	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<7>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1450	0.137	2	131.9225	0.388	17	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5]HH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4055	0.067	2	131.4055	0.005	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.5905	0.251	2	132.5905	0.063	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2335	0.103	2	132.2335	0.011	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.9243	0.450	3	132.9243	0.202	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8423	0.642	13	131.8423	0.412	13	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|B<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8552	0.311	11	131.6130	0.225	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1813	0.456	7	131.6130	0.225	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7915	0.200	2	131.6130	0.225	20	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CN[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CN[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2617	0.389	6	132.2617	0.151	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5795	0.348	4	131.5795	0.121	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.0460	0.000	1	130.0460	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	130.1480	0.000	1	130.2515	0.021	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<8>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	130.3550	0.000	1	130.2515	0.021	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.3042	0.417	5	130.5201	0.196	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<7>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.7360	0.386	5	130.5201	0.196	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8077	0.433	4	131.8077	0.188	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5302	0.513	16	131.5141	0.251	17	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2560	0.000	1	131.5141	0.251	17	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.4050	0.627	108	132.4050	0.393	108	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.0849	0.740	51	132.0113	0.611	54	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.7230	0.000	1	132.0113	0.611	54	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.7790	0.219	2	132.0113	0.611	54	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	132.2890	0.196	3	132.2890	0.038	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.0080	0.839	2	132.0080	0.703	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.4340	0.697	2	132.4930	0.253	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.6110	0.000	1	132.4930	0.253	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.5470	0.041	2	133.5470	0.002	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	133.1096	0.923	5	133.1096	0.853	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8463	0.853	33	131.8247	0.985	40	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7229	1.584	7	131.8247	0.985	40	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	132.3350	0.356	2	132.3350	0.127	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8870	0.627	38	131.8059	0.569	54	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4486	0.804	9	131.8059	0.569	54	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4270	0.000	1	131.8059	0.569	54	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.7180	0.000	1	131.8059	0.569	54	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5030	1.268	4	131.8059	0.569	54	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<7>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6200	0.000	1	131.8059	0.569	54	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1680	0.588	3	132.1680	0.346	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8322	0.324	4	131.8322	0.105	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.3599	0.434	7	132.3599	0.188	7	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.0597	0.811	26	132.0597	0.657	26	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5750	0.000	1	131.5750	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8150	0.000	1	131.8150	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1375	2.045	13	131.1375	4.182	13	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.0403	0.580	10	131.0671	0.310	11	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3350	0.000	1	131.0671	0.310	11	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CHHS)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.6770	0.000	1	132.6770	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.4060	0.000	1	130.4060	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CC[6a]HH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.8543	1.092	4	132.8543	1.192	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.5247	0.925	3	130.5247	0.855	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.0248	0.568	6	133.0248	0.323	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5780	0.448	2	132.1010	0.512	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.6240	0.491	2	132.1010	0.512	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6,6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6050	0.328	3	131.6050	0.108	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.0465	0.380	4	132.1295	0.103	8	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2125	0.278	4	132.1295	0.103	8	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CF3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CF3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.1390	0.000	1	133.1390	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4397	1.107	3	131.0064	1.203	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.3565	0.977	2	131.0064	1.203	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.0805	0.294	6	132.0805	0.087	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	131.4167	1.994	3	131.4167	3.977	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.6918	0.510	5	132.6918	0.260	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|Ru<8>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	132.7890	0.228	2	132.8121	0.050	7	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<4>,1|Ru<8>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|Fe<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	132.8380	0.478	2	132.8121	0.050	7	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	132.7580	0.040	2	132.8121	0.050	7	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	132.9150	0.000	1	132.8121	0.050	7	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2480	0.000	1	131.6107	0.874	24	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.9887	0.370	6	131.6107	0.874	24	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3010	0.399	5	131.6107	0.874	24	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.4960	0.695	5	131.6107	0.874	24	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.3559	0.938	7	131.6107	0.874	24	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.3029	0.409	7	132.0912	0.321	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5973	0.649	3	132.0912	0.321	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7107	0.785	8	131.7045	0.479	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6795	0.028	2	131.7045	0.479	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CF3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CF3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.0230	0.000	1	133.0230	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.0420	0.000	1	131.0626	0.199	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.4080	0.000	1	131.0626	0.199	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.9380	0.000	1	131.0626	0.199	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4625	0.177	2	131.0626	0.199	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CHHP){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	132.7750	0.000	1	132.7750	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	134.5970	0.000	1	134.9120	0.198	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	135.2270	0.000	1	134.9120	0.198	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.8990	0.033	2	132.7835	0.259	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.7258	0.646	4	132.7835	0.259	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3490	0.520	5	131.1074	0.395	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.5337	0.722	3	131.1074	0.395	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.4650	0.000	1	131.1074	0.395	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	131.2630	0.000	1	131.1074	0.395	10	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2260	0.037	2	131.2260	0.001	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1082	0.941	4	131.0341	1.531	8	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.9600	1.634	4	131.0341	1.531	8	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6377	0.883	3	131.6342	0.338	13	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3107	0.262	6	131.6342	0.338	13	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7405	0.019	2	131.6342	0.338	13	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.4930	0.151	2	131.6342	0.338	13	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8540	0.106	2	131.8540	0.011	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.8165	0.189	2	132.8165	0.036	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2577	1.002	3	131.9189	0.286	15	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8342	0.377	12	131.9189	0.286	15	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5235	0.438	10	131.3225	0.439	30	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.2220	0.740	20	131.3225	0.439	30	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.8835	1.369	4	131.8835	1.873	4	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.5495	0.491	2	133.3792	0.280	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.2940	0.598	4	133.3792	0.280	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3578	1.016	5	130.9571	1.538	18	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.7520	0.000	1	130.9571	1.538	18	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	128.5740	2.058	2	130.9571	1.538	18	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1539	0.715	10	130.9571	1.538	18	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.9990	1.319	2	132.9990	1.741	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1130	1.293	2	132.1130	1.671	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.8793	0.128	3	133.0405	0.090	15	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.0807	0.320	12	133.0405	0.090	15	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	132.7920	0.000	1	132.7920	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Re)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Re)(CH3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	132.4710	0.000	1	132.4710	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	126.7650	0.000	1	126.5909	0.069	11	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	126.4550	0.262	5	126.5909	0.069	11	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	126.6920	0.246	5	126.5909	0.069	11	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CC[6a]CH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	126.4720	0.000	1	126.4720	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	126.1430	0.000	1	126.1430	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.2270	0.000	1	127.2270	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(CH3){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|C<4>}	127.2490	0.000	1	127.2490	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.2200	0.000	1	127.1324	0.187	33	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.2490	0.000	1	127.1324	0.187	33	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.0956	0.441	29	127.1324	0.187	33	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|C<4>}	127.5635	0.361	2	127.1324	0.187	33	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.4550	0.149	3	126.4550	0.022	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.7919	0.813	18	126.7904	0.624	19	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	126.7630	0.000	1	126.7904	0.624	19	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	128.0572	1.567	5	128.0572	2.455	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.8900	0.000	1	126.8900	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ir)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ir)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.4310	0.031	2	127.4310	0.001	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.9670	0.000	1	127.9670	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CH3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.6124	0.470	7	126.6124	0.221	7	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.7645	0.792	4	126.9006	0.563	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.4450	0.000	1	126.9006	0.563	5	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.7550	0.000	1	126.7550	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.4320	0.000	1	127.4320	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<7>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.1730	0.000	1	127.1730	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.2405	0.391	2	127.3830	0.137	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.6680	0.000	1	127.3830	0.137	3	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]CH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|S<2>,2|C<3>}	125.9870	0.000	1	125.9870	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.6010	0.000	1	126.6010	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.6405	0.456	2	126.6443	0.120	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.6463	0.361	4	126.6443	0.120	6	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(CH3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.3060	0.078	2	127.3060	0.006	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	125.5463	0.507	12	125.5463	0.257	12	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	124.2780	0.000	1	124.2780	0.000	1	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	134.0310	0.000	1	133.1520	1.545	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	132.2730	0.000	1	133.1520	1.545	2	130.0342	4.236	2919	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	130.6810	0.000	1	130.6810	0.000	1	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	131.1220	0.000	1	131.1220	0.000	1	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	131.4740	0.000	1	131.4740	0.000	1	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	129.6310	0.000	2	130.1575	1.024	6	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	131.2580	0.221	2	130.1575	1.024	6	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	129.5835	1.199	2	130.1575	1.024	6	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	131.6590	0.000	1	131.9780	0.853	16	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	131.6855	0.927	2	131.9780	0.853	16	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	132.1688	0.279	5	131.9780	0.853	16	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	131.6516	0.857	5	131.9780	0.853	16	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	132.5053	1.853	3	131.9780	0.853	16	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]Pt)(O)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]Pt)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	134.6320	0.573	2	134.6320	0.328	2	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){1|C<4>,1|O<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	130.3990	0.000	1	130.3990	0.000	1	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	132.8530	0.000	1	132.8530	0.000	1	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Rh<6>,1|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|O<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	129.9110	0.000	1	129.9110	0.000	1	131.6099	2.012	30	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(Cl)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|Cl<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(Cl){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	128.8580	0.000	1	128.8580	0.000	1	128.8580	0.000	1	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	127.9920	0.000	1	127.9920	0.000	1	130.2975	0.523	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	130.9700	0.000	1	130.9700	0.000	1	130.2975	0.523	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	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>}	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[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	129.9400	0.000	1	129.9400	0.000	1	130.2975	0.523	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	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>}	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[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	130.3455	0.218	2	130.3455	0.048	2	130.2975	0.523	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	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>}	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[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	130.1413	0.146	4	130.1413	0.021	4	130.2975	0.523	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	130.8095	0.084	2	130.8095	0.007	2	130.2975	0.523	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	130.6715	0.206	4	130.6715	0.043	4	130.2975	0.523	15	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	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>}	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	131.2019	1.365	7	131.1399	1.628	8	131.3318	1.174	12	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	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>}	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	130.7060	0.000	1	131.1399	1.628	8	131.3318	1.174	12	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	131.7158	0.461	4	131.7158	0.213	4	131.3318	1.174	12	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:Ga-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	131.7335	0.422	2	131.7335	0.178	2	131.1803	0.644	6	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:Ga-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	130.9038	0.841	4	130.9038	0.708	4	131.1803	0.644	6	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(PRuOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(PRuOO){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	127.1930	0.116	2	127.1930	0.013	2	127.1930	0.013	2	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	129.0770	0.411	5	129.0770	0.169	5	129.3617	1.041	19	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	129.2420	0.000	1	129.2420	0.000	1	129.3617	1.041	19	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	129.6300	0.000	1	128.7855	1.426	2	129.3617	1.041	19	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	127.9410	0.000	1	128.7855	1.426	2	129.3617	1.041	19	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SCOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	129.5920	0.000	2	129.5920	0.000	2	129.3617	1.041	19	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	129.4990	0.000	1	129.2845	0.541	6	129.3617	1.041	19	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>}	130.2360	0.000	1	129.2845	0.541	6	129.3617	1.041	19	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	129.0303	0.836	3	129.2845	0.541	6	129.3617	1.041	19	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	128.8810	0.000	1	129.2845	0.541	6	129.3617	1.041	19	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	132.8570	0.000	1	132.8570	0.000	1	129.3617	1.041	19	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	128.9635	0.416	2	128.9635	0.173	2	129.3617	1.041	19	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	132.9550	0.485	2	132.2672	0.728	4	132.2672	0.728	4	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	131.5795	0.238	2	132.2672	0.728	4	132.2672	0.728	4	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:B-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(BN[5]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B){1|Cu<4>,1|C<3>,1|C<4>,2|F<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(BN[5]2H){1|C<4>,1|F<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<3>,2|C<3>}	131.9613	0.254	3	131.9613	0.065	3	131.3799	0.256	10	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:B-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Mg)(BN[5]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B){1|Mg<4>,2|C<3>,2|F<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Mg)(BN[5]2H){1|F<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<3>,2|C<3>}	131.1307	0.349	7	131.1307	0.122	7	131.3799	0.256	10	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(BN[5]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B){1|Fe<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(BN[5]2H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	129.5723	0.361	3	129.5723	0.130	3	130.0653	1.306	6	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Rh)(BN[5]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B){1|Rh<9>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Rh)(BN[5]2H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	130.5583	1.551	3	130.5583	2.406	3	130.0653	1.306	6	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.2780	0.177	2	130.2780	0.031	2	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.7330	0.000	1	130.0898	0.050	5	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.1430	0.114	3	130.0898	0.050	5	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.2870	0.000	1	130.0898	0.050	5	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.0410	0.000	1	130.0410	0.000	1	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CN[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CN[5]HH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.0260	0.242	3	131.0260	0.059	3	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(CN[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<5>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(CN[5]HH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.8635	0.122	2	130.8635	0.015	2	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(CN[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(CN[5]HH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.1540	0.235	2	130.1540	0.055	2	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CH3){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.9030	0.000	1	130.9030	0.000	1	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CN[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CN[5]HH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.4588	0.106	4	130.4588	0.011	4	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCCO){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.5140	0.000	1	131.5140	0.000	1	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3){1|Rh<6>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.4070	0.000	1	129.4070	0.000	1	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){2|Cu<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	132.2510	0.000	1	132.2510	0.000	1	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CC[6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){2|Cu<5>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CC[6]HH){1|Cu<5>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	132.5470	0.000	1	132.5470	0.000	1	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ni)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	132.1480	2.003	4	132.1480	4.014	4	130.8289	1.202	28	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:N[6a]-3:Cl-1:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CH3){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	132.7180	0.000	1	132.7180	0.000	1	132.7180	0.000	1	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:P-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(PC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]P){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(PC3){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	127.4300	0.000	1	127.4300	0.000	1	127.4300	0.000	1	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5,5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<3>}	127.7775	0.091	2	127.7775	0.008	2	127.7775	0.008	2	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]N)(CH3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<3>}	128.2630	0.000	1	128.2630	0.000	1	128.2630	0.000	1	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1040	0.000	1	128.1040	0.000	1	128.1040	0.000	1	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	130.7510	0.000	1	130.7510	0.000	1	130.7660	0.000	2	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.7810	0.000	1	130.7810	0.000	1	130.7660	0.000	2	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]P[5]FF)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|P<4>,2|C<3>}	125.3720	0.000	1	125.3720	0.000	1	125.3720	0.000	1	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){1|P<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2260	0.000	1	128.2260	0.000	1	128.6615	2.936	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.5710	0.000	1	129.5710	0.000	1	128.6615	2.936	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CN){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.7060	0.000	1	127.7060	0.000	1	128.6615	2.936	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.4420	0.000	1	127.4420	0.000	1	128.6615	2.936	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.9790	0.000	1	129.0970	1.556	2	128.6615	2.936	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2150	0.000	1	129.0970	1.556	2	128.6615	2.936	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.8605	0.484	2	128.8605	0.235	2	128.6615	2.936	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|N<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HO){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.7430	0.000	1	129.7430	0.000	1	128.6615	2.936	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6770	0.000	1	131.6770	0.000	1	128.6615	2.936	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HO){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	124.9960	0.000	1	124.9960	0.000	1	128.6615	2.936	11	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(Cl)	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>}	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[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(Cl){2|C<4>,3|C<3>}	135.5710	0.621	2	135.5710	0.385	2	135.5710	0.385	2	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	131.4420	0.000	1	131.4420	0.000	1	132.2100	0.283	5	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Pd)(CC[6a]HH)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	131.9790	0.000	1	131.9790	0.000	1	132.2100	0.283	5	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Rh)(CC[6a]HH)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Rh)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	132.6530	0.000	1	132.6530	0.000	1	132.2100	0.283	5	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	132.7490	0.000	1	132.7490	0.000	1	132.2100	0.283	5	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	132.2270	0.000	1	132.2270	0.000	1	132.2100	0.283	5	130.0948	4.143	3224	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	128.6300	0.000	1	128.6300	0.000	1	130.7483	3.588	13	130.3931	3.531	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	128.3770	0.000	2	128.3770	0.000	2	130.7483	3.588	13	130.3931	3.531	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.6760	0.215	2	131.6760	0.046	2	130.7483	3.588	13	130.3931	3.531	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|Ru<7>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.9915	1.483	4	131.9915	2.198	4	130.7483	3.588	13	130.3931	3.531	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|Ru<7>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.7565	2.064	4	130.7565	4.261	4	130.7483	3.588	13	130.3931	3.531	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]CH){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>,2|C<4>}	128.4175	0.122	2	128.4175	0.015	2	128.4175	0.015	2	130.3931	3.531	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,2|N<2>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	129.7260	0.000	1	129.7260	0.000	1	129.7260	0.000	1	130.3931	3.531	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]N)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]Cl)(NOO)	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>}	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[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]Cl)(NOO){1|C<4>,1|N<3>,3|C<3>}	136.3750	0.000	1	136.3750	0.000	1	136.3750	0.000	1	133.1349	7.637	8	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]C[3]){1|H<1>,2|C<3>,2|C<4>}	129.1730	0.218	2	129.1730	0.047	2	129.1730	0.047	2	133.1349	7.637	8	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6,6a]H)(C[6a]C[6a]2)	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>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Pd<4>,3|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	135.2660	1.273	2	135.2660	1.620	2	134.0716	1.784	5	133.1349	7.637	8	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	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>}	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[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	132.8200	0.000	1	132.8200	0.000	1	134.0716	1.784	5	133.1349	7.637	8	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	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>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Pd<4>,3|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	133.0290	0.000	1	133.0290	0.000	1	134.0716	1.784	5	133.1349	7.637	8	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)2	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>}	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[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)2{1|C<4>,3|H<1>,7|C<3>}	133.9770	0.000	1	133.9770	0.000	1	134.0716	1.784	5	133.1349	7.637	8	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	128.9940	0.608	4	128.9940	0.370	4	129.1829	0.357	10	129.2148	0.557	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	128.8470	0.129	2	129.3702	0.438	5	129.1829	0.357	10	129.2148	0.557	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Br<1>,2|C<3>,2|C<4>}	130.3800	0.000	1	129.3702	0.438	5	129.1829	0.357	10	129.2148	0.557	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	129.6790	0.000	1	129.3702	0.438	5	129.1829	0.357	10	129.2148	0.557	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	129.0980	0.000	1	129.3702	0.438	5	129.1829	0.357	10	129.2148	0.557	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(CHHN)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(CHHN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.0020	0.000	1	129.0020	0.000	1	129.1829	0.357	10	129.2148	0.557	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>,2|C<4>}	129.2200	0.000	1	129.2200	0.000	1	129.2200	0.000	1	129.2148	0.557	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]HN)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>,2|C<4>}	129.5760	0.000	1	129.5760	0.000	1	129.2776	1.280	5	129.2148	0.557	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	130.3215	0.001	2	130.3215	0.000	2	129.2776	1.280	5	129.2148	0.557	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]CH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	128.0845	0.052	2	128.0845	0.003	2	129.2776	1.280	5	129.2148	0.557	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:5:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-5:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BReH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BReH3){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<5>,1|H<1>,1|S<2>,2|C<3>}	129.1600	0.000	2	129.1600	0.000	2	129.1600	0.000	2	129.1600	0.000	2	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[3x5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2O[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2O[5])(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	129.2520	0.000	1	129.2520	0.000	1	129.2520	0.000	1	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.6290	0.000	1	127.6290	0.000	1	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.9420	0.000	1	127.9420	0.000	1	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	129.7740	0.000	1	129.7740	0.000	1	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.7060	0.000	1	128.7060	0.000	1	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.7710	0.000	1	128.1628	0.520	9	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.0100	0.603	3	128.1628	0.520	9	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.2580	1.166	3	128.1628	0.520	9	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.4450	0.547	2	128.1628	0.520	9	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.9280	0.000	1	127.8450	0.014	2	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.7620	0.000	1	127.8450	0.014	2	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	127.8430	0.000	1	127.8430	0.000	1	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.9950	0.000	1	127.7545	0.116	2	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.5140	0.000	1	127.7545	0.116	2	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.5580	0.000	1	128.5580	0.000	1	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]C[5]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.7680	0.000	1	128.7680	0.000	1	128.1942	0.455	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]I)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]I)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|I<1>,2|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){1|C<3>,2|C<4>,2|H<1>}	128.7950	0.000	1	128.7950	0.000	1	128.7950	0.000	1	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	126.5240	0.000	1	126.5240	0.000	1	127.3676	0.308	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.1880	0.000	2	128.1450	0.006	3	127.3676	0.308	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.0590	0.000	1	128.1450	0.006	3	127.3676	0.308	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Ru)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Ru<11>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Ru)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.8060	0.000	1	127.8060	0.000	1	127.3676	0.308	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.0800	0.000	1	127.0800	0.000	1	127.3676	0.308	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.3664	0.396	10	127.3664	0.157	10	127.3676	0.308	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	127.3920	0.000	1	127.4305	0.003	2	127.3676	0.308	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	127.4690	0.000	1	127.4305	0.003	2	127.3676	0.308	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	126.4915	0.285	2	126.4915	0.081	2	127.3676	0.308	20	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(O){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	131.1910	0.000	1	131.1910	0.000	1	131.1910	0.000	1	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.6700	0.622	2	128.6700	0.387	2	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.2200	0.000	1	128.2200	0.000	1	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	129.3190	0.000	1	129.3190	0.000	1	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.4760	0.000	1	128.2740	0.082	2	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0720	0.000	1	128.2740	0.082	2	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	127.4840	0.000	1	127.4840	0.000	1	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.1420	0.806	2	127.9970	0.388	3	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.7070	0.000	1	127.9970	0.388	3	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	127.6470	0.000	1	127.6470	0.000	1	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.0250	0.000	1	127.3893	0.110	3	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.5715	0.145	2	127.3893	0.110	3	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.7130	0.000	1	128.7130	0.000	1	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.8310	0.000	1	128.1983	0.166	6	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.0300	0.323	3	128.1983	0.166	6	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.5390	0.000	1	128.1983	0.166	6	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.7300	0.000	1	128.1983	0.166	6	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C[6])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C[6])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.8587	0.476	3	127.8587	0.227	3	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.5950	0.000	1	128.1310	0.431	2	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.6670	0.000	1	128.1310	0.431	2	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	130.6230	0.000	1	130.6230	0.000	1	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	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>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	130.3120	0.000	1	130.3120	0.000	1	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]DyN)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Dy<15>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]DyN)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	131.3080	0.246	2	131.3080	0.061	2	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HoN)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ho<15>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HoN)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	130.6595	0.070	2	130.6595	0.005	2	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]TbN)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Tb<15>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]TbN)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	130.5000	0.284	2	130.5000	0.081	2	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	127.2530	0.000	1	127.2530	0.000	1	128.6737	1.586	35	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]NO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]NO)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	128.7610	0.021	2	128.7610	0.000	2	127.3850	5.680	3	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]S[5]Se)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]P[5]H){1|Se<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]S[5]Se)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	124.6330	0.000	1	124.6330	0.000	1	127.3850	5.680	3	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H){2|C<3>,2|H<1>,2|S<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H){2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|N<3>,1|P<4>,2|H<1>,3|C<3>}	128.6130	0.000	1	128.6130	0.000	1	128.6130	0.000	1	128.2296	1.407	82	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|C<2>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	127.5240	0.000	1	127.3865	0.038	2	127.3865	0.038	2	127.2957	0.044	3	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|C<2>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	127.2490	0.000	1	127.3865	0.038	2	127.3865	0.038	2	127.2957	0.044	3	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	127.1140	0.000	1	127.1140	0.000	1	127.1140	0.000	1	127.2957	0.044	3	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(CC[6a]O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	129.3070	0.000	1	129.3070	0.000	1	129.9360	0.791	2	129.9360	0.791	2	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]O)(CNO)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|O<1>,4|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>,3|C<4>}	130.5650	0.000	1	130.5650	0.000	1	129.9360	0.791	2	129.9360	0.791	2	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C-4:C[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	132.1440	0.000	1	132.1440	0.000	1	131.9435	0.080	2	129.7233	6.558	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C-4:C[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(C[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(C[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	131.7430	0.000	1	131.7430	0.000	1	131.9435	0.080	2	129.7233	6.558	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C-4:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(N[5]N[5]){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	133.0767	0.568	3	133.0767	0.322	3	133.0767	0.322	3	129.7233	6.558	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(NO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(NO){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	127.4275	0.121	2	127.4275	0.015	2	129.4543	12.331	3	129.7233	6.558	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(NC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(NC){1|H<1>,1|N<3>,1|S<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	133.5080	0.000	1	133.5080	0.000	1	129.4543	12.331	3	129.7233	6.558	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	127.3647	1.284	3	127.3647	1.649	3	127.3647	1.649	3	129.7233	6.558	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	128.5760	0.315	3	128.5760	0.099	3	128.5760	0.099	3	129.7233	6.558	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Se[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(Se[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Se[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(Se[5]N[5]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	128.1355	0.030	2	128.1355	0.001	2	128.1355	0.001	2	129.7233	6.558	16	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3: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)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(COO)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	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>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	131.5130	0.000	1	131.5130	0.000	1	131.5130	0.000	1	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(CC[6a]O)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	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>,5|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(CC[6a]O){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	132.4910	0.000	1	132.4910	0.000	1	132.4910	0.000	1	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[3x6]HH)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1170	0.000	1	132.1170	0.000	1	132.1313	0.000	3	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.1385	0.016	2	132.1385	0.000	2	132.1313	0.000	3	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[3,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.2090	0.000	1	129.2090	0.000	1	129.2090	0.000	1	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]C)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]C)(COO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1660	0.000	1	128.1660	0.000	1	128.3270	0.241	5	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]H)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]H)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1490	0.425	3	128.1490	0.180	3	128.3270	0.241	5	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]O)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.0220	0.000	1	129.0220	0.000	1	128.3270	0.241	5	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CCO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.8470	0.000	1	129.8470	0.000	1	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCO){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.8070	0.000	1	129.8070	0.000	1	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|H<1>,1|N<3>,2|C<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.8188	0.438	4	129.4491	0.443	7	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.6650	0.000	1	129.4491	0.443	7	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.6020	0.232	2	129.4491	0.443	7	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|F<1>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCO){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.2060	0.000	1	129.2060	0.000	1	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	129.1425	0.605	2	129.1425	0.366	2	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.6250	0.000	1	129.5904	0.210	14	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.8900	0.000	1	129.5904	0.210	14	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.9955	0.378	2	129.5904	0.210	14	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.8290	0.000	1	129.5904	0.210	14	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.6370	0.000	1	129.5904	0.210	14	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.4400	0.082	2	129.5904	0.210	14	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.5335	0.308	2	129.5904	0.210	14	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	130.0865	0.151	4	129.5904	0.210	14	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	128.8147	0.781	3	128.8147	0.609	3	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.5780	0.000	1	128.2475	0.896	2	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.9170	0.000	1	128.2475	0.896	2	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	130.0940	0.000	1	130.0940	0.000	1	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4930	0.000	1	128.4930	0.000	1	129.3661	0.434	33	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.8020	0.000	1	129.4130	0.570	3	129.4101	1.209	10	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.5430	0.000	1	129.4130	0.570	3	129.4101	1.209	10	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.8940	0.000	1	129.4130	0.570	3	129.4101	1.209	10	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(COO){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.6640	0.000	1	126.6640	0.000	1	129.4101	1.209	10	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|C<4>,2|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.5420	0.000	1	129.5420	0.000	1	129.4101	1.209	10	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.7190	0.000	1	129.9312	0.206	5	129.4101	1.209	10	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.9843	0.505	4	129.9312	0.206	5	129.4101	1.209	10	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]I)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]I)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){1|I<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){2|C<3>,3|C<4>}	130.3930	0.000	1	130.3930	0.000	1	130.3930	0.000	1	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:B-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(BC[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	127.3930	0.260	2	127.3930	0.068	2	126.9420	0.644	3	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:B-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(BC[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	126.0400	0.000	1	126.0400	0.000	1	126.9420	0.644	3	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.2353	1.133	3	129.2730	1.009	5	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.3295	1.207	2	129.2730	1.009	5	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CCO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.8790	0.000	1	129.8790	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	129.0280	0.000	1	129.0280	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	129.3100	0.000	1	128.9950	0.079	3	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.8375	0.097	2	128.9950	0.079	3	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|B<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]H)(COO){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	129.4110	0.000	1	129.4110	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	129.9850	0.000	1	129.9850	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	130.4770	0.000	1	130.4770	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(COO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.0630	0.891	2	129.0630	0.794	2	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.2290	0.000	1	129.0220	0.286	5	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.5120	0.495	2	129.0220	0.286	5	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	129.4850	0.000	1	129.0220	0.286	5	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	129.3720	0.000	1	129.0220	0.286	5	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[5]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.7530	0.000	1	129.7530	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.2210	0.000	1	129.2210	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.1640	0.000	1	129.1640	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.1930	0.345	2	129.1930	0.119	2	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.9060	0.000	1	129.2498	0.278	4	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.0310	0.360	3	129.2498	0.278	4	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0740	0.000	1	128.5735	0.215	8	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.6780	0.104	3	128.5735	0.215	8	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	128.6120	0.000	1	128.5735	0.215	8	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|C<4>}	128.1890	0.257	2	128.5735	0.215	8	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	129.4900	0.000	1	128.5735	0.215	8	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	129.2750	0.000	1	128.7565	0.538	2	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.2380	0.000	1	128.7565	0.538	2	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	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>,2|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	130.9230	0.000	1	130.9230	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.8077	0.354	3	129.0390	0.163	5	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.3560	0.000	1	129.0390	0.163	5	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.4160	0.000	1	129.0390	0.163	5	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(COO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	129.1865	0.531	2	129.1865	0.282	2	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Si<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(COO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.5550	0.000	1	128.5550	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(CHO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(CHO){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.7880	0.000	1	128.7880	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CCO){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4640	0.000	1	128.4640	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(CC[6a]O){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.7550	0.000	1	128.7550	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(COO){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.8205	0.780	2	129.8205	0.608	2	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.3260	0.000	1	129.2930	0.002	2	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.2600	0.000	1	129.2930	0.002	2	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.5710	0.000	1	129.0800	0.132	4	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.2497	0.157	3	129.0800	0.132	4	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.7385	0.456	2	128.9340	0.143	4	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.1295	0.262	2	128.9340	0.143	4	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.0900	0.498	2	129.0900	0.248	2	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(CCO){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.5090	0.000	1	129.5090	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	131.4520	0.000	1	131.4520	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	131.5170	0.000	1	131.5170	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CCO){1|Cu<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	123.7673	0.559	4	123.7673	0.313	4	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]C)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]C)(CCO){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.8480	0.000	1	127.8480	0.000	1	128.8754	2.055	73	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	130.0900	0.000	1	130.0900	0.000	1	131.7717	1.484	21	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.6210	0.000	1	127.6210	0.000	1	131.7717	1.484	21	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]2C)(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]2C)(C[5]N[5]Pd){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.4090	1.212	2	132.4090	1.469	2	131.7717	1.484	21	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Cr)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Cr<6>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Cr){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1500	0.601	2	131.1500	0.361	2	131.7717	1.484	21	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Ir<4>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Ir){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.7247	0.240	3	132.6178	0.039	6	131.7717	1.484	21	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Ir<6>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Ir){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.5110	0.081	3	132.6178	0.039	6	131.7717	1.484	21	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Mo)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Mo<6>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Mo){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.2970	0.000	1	132.2970	0.000	1	131.7717	1.484	21	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]W)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|C<3>,1|W<6>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]W){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.4840	0.122	2	132.4840	0.015	2	131.7717	1.484	21	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.3700	0.000	1	131.3700	0.000	1	131.7717	1.484	21	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	131.6068	0.169	5	131.6068	0.028	5	131.7717	1.484	21	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	126.6020	0.000	1	126.6020	0.000	1	129.6293	2.533	6	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	130.1105	0.243	2	130.1105	0.059	2	129.6293	2.533	6	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NOO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	130.3177	0.883	3	130.3177	0.779	3	129.6293	2.533	6	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:P-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(POO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(POO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	128.4810	1.072	2	128.4810	1.149	2	128.4810	1.149	2	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ga[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]O[5]CC)(CCC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C){1|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]O[5]CC)(CCC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ga<4>,1|H<1>,1|O<2>,2|C<3>}	125.0190	0.000	1	125.0190	0.000	1	125.0190	0.000	1	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2O[5])(CN[5a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2O[5])(CN[5a]O){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	129.4370	0.000	1	129.4370	0.000	1	129.5565	0.029	2	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]O[5]CC)(CC[5a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]O[5]CC)(CC[5a]O){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	129.6760	0.000	1	129.6760	0.000	1	129.5565	0.029	2	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]2H)(C[5]S[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	127.9640	0.000	1	127.9640	0.000	1	127.9640	0.000	1	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[3x6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.5900	0.000	1	132.5900	0.000	1	133.0412	0.093	4	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[3x6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|Ir<5>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]Ir){3|C<3>,3|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.1790	0.079	2	133.1790	0.006	2	133.0412	0.093	4	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[3x6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]Pd){2|C<3>,4|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.2170	0.000	1	133.2170	0.000	1	133.0412	0.093	4	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCO){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){2|C<3>,3|C<4>}	129.4090	0.000	1	129.4090	0.000	1	129.4970	0.015	2	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(COO){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	129.5850	0.000	1	129.5850	0.000	1	129.4970	0.015	2	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.0265	0.315	2	129.2003	0.140	3	129.2003	0.140	3	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.5480	0.000	1	129.2003	0.140	3	129.2003	0.140	3	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	129.2230	0.000	1	129.2230	0.000	1	129.5930	0.274	2	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.9630	0.000	1	129.9630	0.000	1	129.5930	0.274	2	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.3230	0.000	1	128.2000	0.131	3	131.9509	3.098	20	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	128.1385	0.490	2	128.2000	0.131	3	131.9509	3.098	20	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.4607	0.216	8	132.5049	0.072	10	131.9509	3.098	20	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.6815	0.496	2	132.5049	0.072	10	131.9509	3.098	20	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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<3>,2|H<1>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Ir){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	132.5000	0.520	3	132.5000	0.270	3	131.9509	3.098	20	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Pd){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.3275	2.555	2	133.3275	6.527	2	131.9509	3.098	20	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.6075	0.209	2	132.6075	0.044	2	131.9509	3.098	20	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:Ga[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H)	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](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	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](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|O<3>,2|C<3>}	126.6235	0.719	2	126.6235	0.517	2	126.6235	0.517	2	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]O[4,5]C[6a])(N[5]In[4,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(In[4,5]O[4,5]2C)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]O[4,5]C[6a])(N[5]In[4,5]C[6a])(C[6a]C[6a]H){1|In<4>,1|O<3>,3|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(In[4,5]O[4,5]2C)(C[6a]C[6a]2){1|In<4>,1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<4>,1|H<1>,1|O<3>,2|C<3>}	123.7160	0.382	2	123.7160	0.146	2	123.7160	0.146	2	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]Cl2)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]Cl2)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<4>,1|H<1>,1|O<2>,2|C<3>}	124.0590	0.000	1	124.0590	0.000	1	123.7193	0.393	3	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]II)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|C<4>,2|I<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]II)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<4>,1|H<1>,1|O<2>,2|C<3>}	124.1030	0.000	1	124.1030	0.000	1	123.7193	0.393	3	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]IN)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){1|I<1>,1|N<4>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]IN)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<4>,1|H<1>,1|O<2>,2|C<3>}	122.9960	0.000	1	122.9960	0.000	1	123.7193	0.393	3	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,3|H<1>,4|C<3>}	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](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	127.5070	0.000	1	127.5070	0.000	1	127.5070	0.000	1	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(COO)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	131.2030	0.000	1	131.2030	0.000	1	131.2030	0.000	1	129.5838	4.250	204	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>,2|C<4>}	126.5420	0.000	1	126.5420	0.000	1	126.5420	0.000	1	128.4753	5.405	3	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[6]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[6])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[6])(N[5]C[5]C){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|C<3>,5|C<4>}	127.8290	0.000	1	127.8290	0.000	1	127.8290	0.000	1	128.4753	5.405	3	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO){2|C<4>,3|C<3>}	131.0550	0.000	1	131.0550	0.000	1	131.0550	0.000	1	128.4753	5.405	3	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	129.4095	0.387	2	129.4095	0.150	2	129.4095	0.150	2	128.3604	1.450	11	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:P-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]P)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(PC[6a]2S)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]P)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(PC[6a]2S){2|C<3>,3|C<4>}	130.7540	0.000	1	130.7540	0.000	1	130.7540	0.000	1	128.3604	1.450	11	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CNN)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|Pd<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CNN){1|Pd<4>,1|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	126.3390	0.000	1	126.3390	0.000	1	127.7989	0.557	8	128.3604	1.450	11	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	128.1052	0.461	6	128.1052	0.213	6	127.7989	0.557	8	128.3604	1.450	11	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	127.4210	0.000	1	127.4210	0.000	1	127.7989	0.557	8	128.3604	1.450	11	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[3,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	127.4520	0.000	1	127.4520	0.000	1	127.4520	0.000	1	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]H)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.5750	0.000	1	128.5750	0.000	1	128.5750	0.000	1	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.8630	0.000	1	128.8630	0.000	1	128.8630	0.000	1	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:S-4:	C[6a,6a]-3:C[5,6a]-3:F-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(F)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(F){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	131.0890	0.000	1	131.0890	0.000	1	131.0890	0.000	1	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|Br<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,3|C<4>}	128.3030	0.000	1	128.3030	0.000	1	128.3030	0.000	1	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.8230	0.000	1	127.8230	0.000	1	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.5220	0.000	1	128.5220	0.000	1	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.3750	0.000	1	127.9585	0.179	4	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.0405	0.081	2	127.9585	0.179	4	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.3780	0.000	1	127.9585	0.179	4	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	129.2590	0.085	2	129.2590	0.007	2	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Zr)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Zr<12>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Zr)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.3030	0.000	1	128.3030	0.000	1	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,3|C<4>}	128.8860	0.000	1	128.8860	0.000	1	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.0880	0.000	1	128.0880	0.000	1	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	126.8740	0.000	1	127.8400	1.866	2	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	128.8060	0.000	1	127.8400	1.866	2	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.6920	0.000	1	128.6608	0.542	9	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.0520	0.000	1	128.6608	0.542	9	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.4900	0.324	3	128.6608	0.542	9	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.7860	0.349	2	128.6608	0.542	9	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	129.5805	0.733	2	128.6608	0.542	9	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0030	0.000	1	128.0030	0.000	1	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.6920	0.000	1	127.6920	0.000	1	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.9030	0.000	1	127.9030	0.000	1	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	131.0940	0.498	3	130.8235	0.458	4	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	130.0120	0.000	1	130.8235	0.458	4	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	129.3860	0.000	1	129.3860	0.000	1	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	131.4840	0.000	1	131.4840	0.000	1	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(CCHH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	127.0840	0.000	1	127.0840	0.000	1	128.7640	1.441	32	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]O[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]O[5]H)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.9190	0.000	1	127.9190	0.000	1	128.4334	1.124	13	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	126.8470	0.000	1	127.1977	2.201	3	128.4334	1.124	13	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	128.8250	0.000	1	127.1977	2.201	3	128.4334	1.124	13	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	125.9210	0.000	1	127.1977	2.201	3	128.4334	1.124	13	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.9440	0.000	1	127.9440	0.000	1	128.4334	1.124	13	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	129.2800	0.226	4	129.2800	0.051	4	128.4334	1.124	13	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.8693	0.451	3	128.8693	0.203	3	128.4334	1.124	13	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]S){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|S<4>,2|C<3>}	128.4500	0.000	1	128.4500	0.000	1	128.4334	1.124	13	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.4250	0.000	1	126.4250	0.000	1	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.0233	0.461	3	129.4357	0.822	4	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	130.6730	0.000	1	129.4357	0.822	4	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]HH){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	126.1800	0.000	1	126.1800	0.000	1	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.7910	0.000	1	128.6150	0.062	2	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.4390	0.000	1	128.6150	0.062	2	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.5400	0.000	1	127.5400	0.000	1	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.1890	0.000	1	129.1890	0.000	1	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	128.6340	0.000	1	128.5855	0.005	2	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.5370	0.000	1	128.5855	0.005	2	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.0430	0.000	1	128.8813	0.076	3	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.8005	0.334	2	128.8813	0.076	3	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.1160	0.000	1	128.4848	0.326	18	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.3990	0.115	2	128.4848	0.326	18	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	127.6490	0.000	1	128.4848	0.326	18	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.5497	0.317	4	128.4848	0.326	18	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.6228	0.868	6	128.4848	0.326	18	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	128.1980	0.000	1	128.4848	0.326	18	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	129.0780	0.000	1	128.4848	0.326	18	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,3|C<4>}	128.6220	0.000	1	128.4848	0.326	18	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	128.3300	0.000	1	128.4848	0.326	18	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	125.8090	0.000	1	125.8090	0.000	1	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	128.4190	0.000	1	128.4190	0.000	1	128.4308	0.893	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.0140	0.000	1	127.9955	0.001	2	129.2798	2.456	4	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.9770	0.000	1	127.9955	0.001	2	129.2798	2.456	4	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N)(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	129.9440	0.000	1	129.9440	0.000	1	129.2798	2.456	4	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	131.1840	0.000	1	131.1840	0.000	1	129.2798	2.456	4	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	130.7320	0.000	1	130.7320	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.5350	0.000	1	127.8100	0.151	2	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.0850	0.000	1	127.8100	0.151	2	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.4780	0.263	2	128.4780	0.069	2	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.9990	0.000	1	127.6385	0.260	2	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.2780	0.000	1	127.6385	0.260	2	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.5580	0.000	1	129.5580	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,3|C<4>}	128.7520	0.000	1	128.7520	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,3|C<4>}	128.4470	0.000	1	128.2110	0.111	2	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.9750	0.000	1	128.2110	0.111	2	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.9625	0.235	2	128.9625	0.055	2	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	130.1870	0.000	1	130.1870	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,3|C<4>}	128.6940	0.000	1	128.6940	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	130.4400	0.000	1	130.4400	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.0730	0.000	1	129.0730	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.5120	0.000	1	128.5120	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2670	0.000	1	128.2670	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.1880	0.000	1	127.8070	0.766	2	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.4260	0.000	1	127.8070	0.766	2	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,3|C<4>}	129.8230	0.000	1	128.7530	0.959	3	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.5340	0.000	1	128.7530	0.959	3	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.9020	0.000	1	128.7530	0.959	3	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	127.4650	0.000	1	127.4650	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3){1|H<1>,2|F<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.3210	0.000	1	128.3210	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	130.1590	0.013	2	130.1590	0.000	2	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	129.3350	0.000	1	129.3350	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	129.3740	0.000	1	129.3740	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CF3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CF3){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	128.8550	0.000	1	128.8550	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	130.9390	0.332	2	130.9390	0.110	2	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	132.6770	0.000	1	132.6770	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	125.0440	0.000	1	125.0440	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|O<2>,1|P<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH){1|Rh<6>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	125.4620	0.000	1	125.4620	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	126.2870	0.000	1	126.2870	0.000	1	128.7379	2.287	37	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H){3|C<3>,4|C<4>}	128.5730	0.000	1	128.5730	0.000	1	128.5730	0.000	1	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]C[5]HH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	129.4210	0.000	1	129.4210	0.000	1	129.4210	0.000	1	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.7640	0.000	1	127.7640	0.000	1	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>}	129.3330	0.000	2	129.3330	0.000	2	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.9650	0.000	1	128.9650	0.000	1	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.3340	0.000	1	127.3340	0.000	1	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	129.7330	0.000	1	129.7330	0.000	1	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|S<4>,2|C<4>}	129.2320	0.000	1	128.1507	0.759	16	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.2830	0.000	1	128.1507	0.759	16	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.0610	0.000	1	128.1507	0.759	16	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.1780	0.000	1	128.1507	0.759	16	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	127.7030	0.096	2	128.1507	0.759	16	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	128.3175	0.199	2	128.1507	0.759	16	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|C<4>}	126.7700	0.000	1	128.1507	0.759	16	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>}	129.4010	0.000	1	128.1507	0.759	16	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.5477	1.232	3	128.1507	0.759	16	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	129.0100	0.000	1	128.1507	0.759	16	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>}	127.6220	0.000	1	128.1507	0.759	16	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.1710	0.000	1	128.1507	0.759	16	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|N<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.7610	0.000	1	128.4535	0.189	2	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.1460	0.000	1	128.4535	0.189	2	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	129.4610	0.229	2	128.6540	1.980	3	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	127.0400	0.000	1	128.6540	1.980	3	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.1580	0.000	1	128.3263	0.144	3	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|S<2>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.0600	0.000	1	128.3263	0.144	3	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.7610	0.000	1	128.3263	0.144	3	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<4>,1|O<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO){1|N<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	130.0835	0.310	2	130.0835	0.096	2	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	130.0560	0.000	1	130.0560	0.000	1	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|S<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(SC[6a]OO){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	129.1970	0.164	2	129.1970	0.027	2	128.5525	0.923	35	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.6825	0.694	2	126.6825	0.481	2	126.4378	0.566	12	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Co2)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Co<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Co2)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.2880	1.592	2	127.2880	2.536	2	126.4378	0.566	12	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Ru<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.6590	0.062	2	126.1641	0.149	8	126.4378	0.566	12	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	125.9992	0.279	6	126.1641	0.149	8	126.4378	0.566	12	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]N)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]N)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	127.4315	0.011	2	127.4315	0.000	2	127.2500	0.099	3	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	126.8870	0.000	1	126.8870	0.000	1	127.2500	0.099	3	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	128.4690	0.559	2	128.4690	0.312	2	128.4690	0.312	2	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]H)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]H)(CHHP){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.3985	0.534	2	127.3985	0.285	2	127.0502	1.253	29	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	125.8805	0.326	2	125.8805	0.106	2	127.0502	1.253	29	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<5>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.4103	0.173	3	127.0455	0.552	4	127.0502	1.253	29	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<6>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	125.9510	0.000	1	127.0455	0.552	4	127.0502	1.253	29	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiN)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Li<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiN)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	128.4092	0.228	6	128.4092	0.052	6	127.0502	1.253	29	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Br)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Br<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Br)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.2965	0.453	4	127.2965	0.206	4	127.0502	1.253	29	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.8000	0.180	3	126.7182	0.039	5	127.0502	1.253	29	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.5955	0.203	2	126.7182	0.039	5	127.0502	1.253	29	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Cl)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Cl)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.9695	0.142	2	126.9695	0.020	2	127.0502	1.253	29	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[6]N[5]Cl)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[6]N[5]Cl)(CCHH){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.1435	0.114	2	127.1435	0.013	2	127.0502	1.253	29	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]CS)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]CS)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	124.1300	0.000	1	124.1300	0.000	1	127.0502	1.253	29	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]SeC)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]SeC)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	124.1270	0.000	1	124.1270	0.000	1	127.0502	1.253	29	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.2005	0.019	2	128.2005	0.000	2	128.2005	0.000	2	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:Ga[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]N)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]N)(C[5]C[5]2H){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|C<3>,1|C<4>,1|H<1>,1|O<3>}	125.6635	0.332	2	125.6635	0.110	2	125.6635	0.110	2	128.2409	1.821	213	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:2:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(CN)	C[5,6a](N[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>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|C<2>,3|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(CN){1|C<2>,2|C<3>,2|C<4>}	130.9050	0.000	1	130.9050	0.000	1	130.9050	0.000	1	130.9050	0.000	1	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	128.9812	0.509	4	128.8667	0.214	6	128.8667	0.214	6	128.8667	0.214	6	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	128.6375	0.371	2	128.8667	0.214	6	128.8667	0.214	6	128.8667	0.214	6	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|S<4>,2|C<4>}	126.9000	0.000	1	126.9000	0.000	1	126.9000	0.000	1	126.9000	0.000	1	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:5:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:B-5:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(BN[5]ReHH)(C[5]S[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<5>,1|H<1>,1|S<2>,2|C<3>}	127.6950	0.000	1	127.6950	0.000	1	127.1559	0.349	9	128.0070	5.304	21	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:5:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:B-5:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(BN[5]RuHH)(C[5]S[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<5>,1|H<1>,1|S<2>,2|C<3>}	127.0885	0.594	8	127.0885	0.352	8	127.1559	0.349	9	128.0070	5.304	21	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:5:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge-5:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<5>,1|H<1>,1|N<3>,2|C<3>}	131.0440	0.000	1	131.1813	0.108	3	131.1813	0.108	3	128.0070	5.304	21	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:5:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge-5:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<5>,1|H<1>,1|N<3>,2|C<3>}	131.2500	0.433	2	131.1813	0.108	3	131.1813	0.108	3	128.0070	5.304	21	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:5:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-5:P-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2O[5]H)(PC[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2O[5]H)(PC[6a]2){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<3>,1|P<5>}	129.9060	0.000	1	129.9060	0.000	1	129.9060	0.000	1	128.0070	5.304	21	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:5:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-5:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]OsO)(N[5]C[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Os<10>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]OsO)(N[5]C[5]Os){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<5>,1|H<1>,1|N<3>,2|C<3>}	132.4760	0.000	1	132.4760	0.000	1	132.4760	0.000	1	128.0070	5.304	21	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:5:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:Ga[5,5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]O[5]2N)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]O[5]2N)(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ga<5>,1|H<1>,1|O<2>,2|C<3>}	125.7873	0.393	4	125.7873	0.154	4	125.7873	0.154	4	128.0070	5.304	21	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:5:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[5]-5:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[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])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	130.1520	0.349	2	130.1520	0.122	2	130.1520	0.122	2	128.0070	5.304	21	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:5:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]Cl2N)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|Cl<1>,1|N<4>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]Cl2N)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<5>,1|H<1>,1|O<2>,2|C<3>}	124.3660	0.000	1	124.3660	0.000	1	124.3660	0.000	1	128.0070	5.304	21	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:5:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5,5]-5:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<5>}	127.2115	0.169	2	127.4678	0.172	6	127.5526	0.127	12	127.8478	0.330	18	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:5:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5,5]-5:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|C<3>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<5>}	127.5960	0.460	4	127.4678	0.172	6	127.5526	0.127	12	127.8478	0.330	18	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:5:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5,5]-5:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<5>}	127.6373	0.298	6	127.6373	0.089	6	127.5526	0.127	12	127.8478	0.330	18	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:5:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-5:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Pd2)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){2|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Pd2)(CHHP){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	128.5942	0.475	4	128.5942	0.226	4	128.4383	0.214	6	127.8478	0.330	18	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:5:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-5:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiSiN)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Li<4>,1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiSiN)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	128.1265	0.319	2	128.1265	0.102	2	128.4383	0.214	6	127.8478	0.330	18	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	3:6:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:Ga[3x5]-6:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[3x5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]N[5]2O[5]3)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[3x5]C[6a])(C[6a]C[6a]H){2|C<4>,2|N<3>,2|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]N[5]2O[5]3)(C[6a]C[6a]2){10|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ga<6>,1|H<1>,1|O<2>,2|C<3>}	126.2503	0.501	3	126.2503	0.251	3	126.2503	0.251	3	126.2503	0.251	3	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.6335	0.794	2	127.6335	0.631	2	127.6335	0.631	2	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.7325	0.177	2	128.7325	0.032	2	127.9976	1.325	14	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.3880	0.000	1	128.3880	0.000	1	127.9976	1.325	14	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	129.7370	0.000	1	129.7370	0.000	1	127.9976	1.325	14	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.3240	0.000	1	128.3240	0.000	1	127.9976	1.325	14	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	126.9873	0.445	3	126.9873	0.198	3	127.9976	1.325	14	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.9770	0.000	1	127.9770	0.000	1	127.9976	1.325	14	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.0525	1.340	2	128.4068	0.796	4	127.9976	1.325	14	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.7610	0.300	2	128.4068	0.796	4	127.9976	1.325	14	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|P<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	125.4860	0.000	1	125.4860	0.000	1	127.9976	1.325	14	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H){1|Br<1>,1|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	128.8360	0.000	1	128.8360	0.000	1	128.8360	0.000	1	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.4800	1.455	2	128.4800	2.118	2	128.2785	0.845	4	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.7190	0.000	1	127.7190	0.000	1	128.2785	0.845	4	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.4350	0.000	1	128.4350	0.000	1	128.2785	0.845	4	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H)	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(H){3|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.4025	0.090	2	128.4025	0.008	2	128.4025	0.008	2	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.4140	0.386	2	128.4140	0.149	2	128.0383	0.685	6	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.3110	0.000	1	129.3110	0.000	1	128.0383	0.685	6	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.2890	0.000	1	127.2890	0.000	1	128.0383	0.685	6	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.4010	0.000	2	127.4010	0.000	2	128.0383	0.685	6	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]H)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.3160	0.000	1	128.3160	0.000	1	128.3160	0.000	1	128.0845	0.873	30	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	127.4810	0.000	1	127.4810	0.000	1	127.4810	0.000	1	127.4810	0.000	1	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,3|C<4>}	127.6855	0.254	2	127.3410	0.140	5	127.3410	0.140	5	127.3410	0.140	5	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	127.1320	0.310	2	127.3410	0.140	5	127.3410	0.140	5	127.3410	0.140	5	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,3|C<4>}	127.0700	0.000	1	127.3410	0.140	5	127.3410	0.140	5	127.3410	0.140	5	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.8050	1.034	2	129.8050	1.069	2	129.9042	0.403	4	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	130.0035	0.316	2	130.0035	0.100	2	129.9042	0.403	4	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[4,5]C[4,5,5]C[4]H)(C[5,6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[4,5]C[4,5,5]C[4]H)(C[5,6a]C[5,6a]C[6a])(CCO){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.1120	0.000	1	129.1120	0.000	1	128.9095	0.082	2	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[4,5]C[4,5,5]C[6a]C[4])(C[5,6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){2|C<3>,2|H<1>,3|C<4>}	N[5](C[4,5]C[4,5,5]C[6a]C[4])(C[5,6a]C[5,6a]C[6a])(CCO){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.7070	0.000	1	128.7070	0.000	1	128.9095	0.082	2	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	130.5530	0.000	1	129.8176	0.526	5	129.8176	0.526	5	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO){1|Br<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	129.6337	0.690	4	129.8176	0.526	5	129.8176	0.526	5	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.2880	0.000	1	129.2880	0.000	1	129.4165	0.053	4	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.3070	0.000	1	129.3070	0.000	1	129.4165	0.053	4	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CCO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	129.3090	0.000	1	129.3090	0.000	1	129.4165	0.053	4	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6]N[5a,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5a,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(COO){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	129.7620	0.000	1	129.7620	0.000	1	129.4165	0.053	4	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[3,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H)	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	129.7700	0.000	1	129.7700	0.000	1	129.7700	0.000	1	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[3x5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H)	N[5](C[3x5,6]C[5,5,6]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[3x5,6]C[5,5,6]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.5260	0.000	1	129.5260	0.000	1	129.6740	0.044	2	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[3x5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H)	N[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.8220	0.000	1	129.8220	0.000	1	129.6740	0.044	2	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[4,5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H)	N[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	130.0810	0.000	1	130.0810	0.000	1	130.0810	0.000	1	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H)	N[5](C[4,5,6]C[4,5,6]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	N[5](C[4,5,6]C[4,5,6]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.7080	0.000	1	128.7080	0.000	1	128.7080	0.000	1	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]C[6a])(C[6a]C[6a]H)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]C[6a])(C[6a]C[6a]H){2|C<6>,3|C<3>,4|H<1>}	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<6>,4|B<6>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1775	0.890	2	128.1775	0.793	2	128.1775	0.793	2	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]C)(C[6a]C[6a]H)	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.3940	0.000	1	129.3940	0.000	1	129.3940	0.000	1	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,3x6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5,6,6]C[6a])(N[5]C[5,5,3x6]C)(C[6a]C[6a]H)	N[5](C[5,5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5,6,6]C[6a])(N[5]C[5,5,3x6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(COO){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	130.8130	0.000	1	130.8130	0.000	1	130.8130	0.000	1	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(CCO){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	130.1680	0.000	1	130.1680	0.000	1	129.4275	1.097	2	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6,6]C[5,5,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,5,6,6]C[5,5,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(COO){2|C<3>,3|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.6870	0.000	1	128.6870	0.000	1	129.4275	1.097	2	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(COO){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	131.0220	0.000	1	131.0220	0.000	1	130.1989	0.291	7	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	129.9910	0.638	2	129.9910	0.407	2	130.1989	0.291	7	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(COO){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	130.0245	0.682	2	130.0245	0.466	2	130.1989	0.291	7	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){1|C<2>,3|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	130.0210	0.000	1	130.1695	0.044	2	130.1989	0.291	7	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	130.3180	0.000	1	130.1695	0.044	2	130.1989	0.291	7	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6,6]C[5])(C[6a]C[6a]H)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6,6]C[5])(C[6a]C[6a]H){1|Rh<6>,1|C<3>,3|C<4>,3|H<1>}	N[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	132.7985	0.455	2	132.7985	0.207	2	132.7985	0.207	2	129.8429	1.080	35	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S)	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.7570	0.000	1	128.7570	0.000	1	128.7570	0.000	1	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	129.6690	0.000	1	129.6690	0.000	1	129.3330	1.562	4	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.4360	0.000	1	128.3530	0.014	2	129.3330	1.562	4	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.2700	0.000	1	128.3530	0.014	2	129.3330	1.562	4	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|O<2>,1|S<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	130.9570	0.000	1	130.9570	0.000	1	129.3330	1.562	4	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3: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)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.8760	0.000	1	128.8760	0.000	1	128.8830	0.674	7	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	127.7500	0.000	1	128.4083	0.608	3	128.8830	0.674	7	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.7375	0.752	2	128.4083	0.608	3	128.8830	0.674	7	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]N[5,5a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]N[5,5a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.3600	0.857	3	129.3600	0.734	3	128.8830	0.674	7	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	126.9300	0.000	1	126.9300	0.000	1	128.0560	1.049	4	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.7240	0.000	1	128.7240	0.000	1	128.0560	1.049	4	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>}	129.1000	0.000	1	129.1000	0.000	1	128.0560	1.049	4	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.4700	0.000	1	127.4700	0.000	1	128.0560	1.049	4	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|H<1>,3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.4900	0.000	1	127.4900	0.000	1	127.8453	0.882	10	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.7670	0.000	1	128.4315	3.567	2	127.8453	0.882	10	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.0960	0.000	1	128.4315	3.567	2	127.8453	0.882	10	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.3125	0.532	2	127.3125	0.284	2	127.8453	0.882	10	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,4|C<4>}	127.0550	0.000	1	127.0550	0.000	1	127.8453	0.882	10	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.4070	0.000	1	128.1815	1.200	2	127.8453	0.882	10	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.9560	0.000	1	128.1815	1.200	2	127.8453	0.882	10	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.5690	0.000	1	128.5690	0.000	1	127.8453	0.882	10	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|H<1>}	N[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	127.4880	0.000	1	127.4880	0.000	1	127.8453	0.882	10	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	130.9830	0.000	1	130.9830	0.000	1	130.1723	0.568	3	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	129.7670	0.387	2	129.7670	0.150	2	130.1723	0.568	3	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si)	N[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|C<4>,1|C<6>,3|H<1>}	N[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<5>,1|H<1>,2|C<3>,4|B<6>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	127.5350	0.000	1	127.5350	0.000	1	127.5350	0.000	1	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[3,5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H)	N[5](C[3,5,6]C[3,5,5,6]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	N[5](C[3,5,6]C[3,5,5,6]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.4250	0.000	1	128.4250	0.000	1	128.4250	0.000	1	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){2|C<3>,2|C<6>,3|H<1>}	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<6>,2|H<1>,4|B<6>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	127.9270	0.000	1	127.9270	0.000	1	127.7367	0.195	3	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|C<6>,3|H<1>}	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	127.2320	0.000	1	127.6415	0.335	2	127.7367	0.195	3	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,2|C<6>,4|H<1>}	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,3|C<4>}	128.0510	0.000	1	127.6415	0.335	2	127.7367	0.195	3	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]Br)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]Br){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Br<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,3|C<4>}	130.6680	0.000	1	130.6680	0.000	1	130.6680	0.000	1	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.1860	0.000	1	127.1860	0.000	1	127.7288	0.538	6	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	127.5330	0.401	4	127.5330	0.160	4	127.7288	0.538	6	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.0550	0.000	1	129.0550	0.000	1	127.7288	0.538	6	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.3410	0.000	1	128.3410	0.000	1	128.6070	0.142	2	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.8730	0.000	1	128.8730	0.000	1	128.6070	0.142	2	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(CCHH){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	129.6210	0.000	1	129.6210	0.000	1	129.6210	0.000	1	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	Ge[5,5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]Ge[5,5,6]C)(C[6a]C[6a]H)	N[5](Ge[5,5,6]N[5,6]2N[5])(C[5,6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]Ge[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	N[5](Ge[5,5,6]N[5,6]2N[5])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.7375	0.448	2	126.7375	0.200	2	126.7375	0.200	2	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	Si[3x5]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Si[3x5]C)(C[6a]C[6a]H)	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Si[3x5]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,2|C<4>,2|P<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.7015	0.110	2	127.7015	0.012	2	127.7015	0.012	2	128.3622	1.288	48	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C){1|C<3>,2|C<6>,4|H<1>}	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	128.8580	0.000	1	128.8580	0.000	1	128.8580	0.000	1	128.8580	0.000	1	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	5:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	P[5,5]-5:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](P[5,5]N[5,5]N[5]Cl2)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](P[5,5]N[5,5]N[5]Cl2)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<5>}	126.7460	0.433	2	126.7460	0.187	2	126.7460	0.187	2	126.7460	0.187	2	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	6:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(N[5]C[5x3,6x5,20x6]C[6a])(C[6a]C[6a]H)	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(N[5]C[5x3,6x5,20x6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,6|B<6>}	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){4|C<3>,5|B<6>,7|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<6>}	127.0530	0.000	1	127.0530	0.000	1	127.0530	0.000	1	125.1157	1.730	4	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	6:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	In[5,5]-6:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]In[5,5]C[6])(C[6a]C[6a]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])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	124.1250	0.000	1	124.1250	0.000	1	124.1250	0.000	1	125.1157	1.730	4	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[6a]	3:3:3:	6:3:3:	3:3:1:	N[5]-3:C[5,6a]-3:C[6a]-3:	In[4,5,5]-6:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5]In[4,5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5](In[4,5,5]N[5]O[5]2S[4]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5]In[4,5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|S<2>,3|C<3>}	N[5](In[4,5,5]N[5]O[5]2S[4]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<6>,1|H<1>,1|O<2>,2|C<3>}	124.6425	0.091	2	124.6425	0.008	2	124.6425	0.008	2	125.1157	1.730	4	130.0769	4.637	6795	129.9993	4.801	7250
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,5,6]-3:C[5,6a]-3:C[6a]-3:	C[3x5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	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)	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[6a](C[5,6a]N[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]N[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.3630	0.000	1	127.3630	0.000	1	127.3630	0.000	1	127.3630	0.000	1	127.3630	0.000	1	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-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])	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[6a,6a](C[5,6a]C[5,6a]N[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	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>}	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[6a,6a](C[5,6a]C[5,6a]N[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	128.2110	0.000	1	128.2110	0.000	1	128.2110	0.000	1	128.2110	0.000	1	126.8740	3.575	2	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a,6a]	3:3:3:	3:4:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-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])	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]N[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	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|N<2>,5|C<3>,6|H<1>}	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	125.5370	0.000	1	125.5370	0.000	1	125.5370	0.000	1	125.5370	0.000	1	126.8740	3.575	2	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-3:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	127.0580	0.117	2	126.3655	0.646	4	126.3655	0.646	4	126.3655	0.646	4	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-3:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|N<3>,2|H<1>,4|C<3>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	125.6730	0.079	2	126.3655	0.646	4	126.3655	0.646	4	126.3655	0.646	4	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:P[5,5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]P[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5]P[5])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]P[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5]P[5])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	121.4090	0.000	1	121.4090	0.000	1	121.4090	0.000	1	125.8103	14.543	3	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-4:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2N)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(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){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	128.0110	0.168	2	128.0110	0.028	2	128.0110	0.028	2	125.8103	14.543	3	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3: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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0880	0.000	1	128.0880	0.000	1	127.4267	0.299	4	127.9097	0.439	20	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	127.5400	0.000	1	127.5400	0.000	1	127.4267	0.299	4	127.9097	0.439	20	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.0395	0.384	2	127.0395	0.147	2	127.4267	0.299	4	127.9097	0.439	20	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.8220	0.000	1	127.8220	0.000	1	128.0304	0.418	16	127.9097	0.439	20	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.3325	0.880	2	128.3485	0.438	8	128.0304	0.418	16	127.9097	0.439	20	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.5070	0.000	1	128.3485	0.438	8	128.0304	0.418	16	127.9097	0.439	20	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.9885	0.286	2	128.3485	0.438	8	128.0304	0.418	16	127.9097	0.439	20	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	128.7555	1.244	2	128.3485	0.438	8	128.0304	0.418	16	127.9097	0.439	20	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1280	0.000	1	128.3485	0.438	8	128.0304	0.418	16	127.9097	0.439	20	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.1060	0.000	1	127.1060	0.000	1	128.0304	0.418	16	127.9097	0.439	20	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.9175	0.453	2	127.9175	0.205	2	128.0304	0.418	16	127.9097	0.439	20	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	126.9600	0.000	1	126.9600	0.000	1	128.0304	0.418	16	127.9097	0.439	20	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.7940	0.000	1	127.9917	0.055	3	128.0304	0.418	16	127.9097	0.439	20	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0905	0.228	2	127.9917	0.055	3	128.0304	0.418	16	127.9097	0.439	20	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:2:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[6a]-2:Cl-1:	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(N[6a]C[6a])(Cl)	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	135.2485	0.920	2	135.2485	0.846	2	135.2485	0.846	2	135.2485	0.846	2	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>,1|O<2>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.1213	0.593	3	127.1213	0.351	3	126.2598	2.179	20	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	126.6930	0.000	1	126.6930	0.000	1	126.2598	2.179	20	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>,4|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	126.4790	0.000	1	126.4790	0.000	1	126.2598	2.179	20	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H)	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>,2|O<2>,3|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	124.4060	0.000	1	124.4060	0.000	1	126.2598	2.179	20	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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<2>,2|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	127.6360	0.000	1	127.5643	0.104	3	126.2598	2.179	20	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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<2>,2|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	127.2120	0.000	1	127.5643	0.104	3	126.2598	2.179	20	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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<2>,2|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,3|C<4>}	127.8450	0.000	1	127.5643	0.104	3	126.2598	2.179	20	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	122.5690	0.000	1	122.5690	0.000	1	126.2598	2.179	20	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	126.6820	0.076	2	126.6573	0.005	3	126.2598	2.179	20	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	126.6080	0.000	1	126.6573	0.005	3	126.2598	2.179	20	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	126.5370	0.124	2	126.5370	0.015	2	126.2598	2.179	20	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	124.3230	0.479	3	124.3230	0.229	3	126.2598	2.179	20	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]C[5]CH){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	127.4885	0.695	2	127.4885	0.483	2	126.2598	2.179	20	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	127.5825	0.967	2	127.5825	0.934	2	127.5825	0.934	2	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]S[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|O<1>,4|C<3>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	126.7180	0.000	1	126.7180	0.000	1	126.7180	0.000	1	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5,5]-4:	C[5,6a]-3:C[6a]-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)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5,5]C[5]2O)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5,5]C[5]2O){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.1630	0.000	1	126.1630	0.000	1	126.1630	0.000	1	126.3851	1.986	24	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]B[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]B[5]C[5]C)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(CCCH)	C[5,6a](C[5,6a]C[6a]B[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]B[5]C[5]C)(C[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	124.1010	0.000	1	124.1010	0.000	1	124.1010	0.000	1	124.1010	0.000	1	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.2560	0.979	2	126.2560	0.958	2	126.7177	1.118	3	128.0108	1.840	13	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.6410	0.000	1	127.6410	0.000	1	126.7177	1.118	3	128.0108	1.840	13	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.8420	0.000	1	127.3865	0.415	2	127.5922	0.186	5	128.0108	1.840	13	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.9310	0.000	1	127.3865	0.415	2	127.5922	0.186	5	128.0108	1.840	13	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(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){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.7293	0.305	3	127.7293	0.093	3	127.5922	0.186	5	128.0108	1.840	13	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2225	0.060	2	128.2225	0.004	2	129.2052	1.518	5	128.0108	1.840	13	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4830	0.000	1	128.4830	0.000	1	129.2052	1.518	5	128.0108	1.840	13	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.5010	0.000	1	130.5010	0.000	1	129.2052	1.518	5	128.0108	1.840	13	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.5970	0.000	1	130.5970	0.000	1	129.2052	1.518	5	128.0108	1.840	13	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3: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)	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	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<2>,2|C<4>,2|N<3>,4|H<1>}	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	126.8570	0.000	1	126.8570	0.000	1	126.8570	0.000	1	126.3003	0.976	8	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H){1|C<4>,1|N<2>,2|F<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	126.9880	0.000	1	126.9880	0.000	1	126.9587	0.122	3	126.3003	0.976	8	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.9440	0.494	2	126.9440	0.244	2	126.9587	0.122	3	126.3003	0.976	8	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){4|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	125.1577	0.357	3	125.1577	0.128	3	125.1577	0.128	3	126.3003	0.976	8	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	127.1960	0.000	1	127.1960	0.000	1	127.1960	0.000	1	126.3003	0.976	8	127.2462	4.100	75	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.9610	0.000	1	128.9610	0.000	1	128.9610	0.000	1	128.9610	0.000	1	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.7240	0.000	1	129.7240	0.000	1	129.7240	0.000	1	130.8448	0.643	8	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1870	0.578	6	131.1870	0.334	6	131.1870	0.334	6	130.8448	0.643	8	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.9120	0.000	1	129.9120	0.000	1	129.9120	0.000	1	130.8448	0.643	8	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	127.9490	0.000	1	127.3105	0.815	2	127.1820	0.294	4	127.1820	0.294	4	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	126.6720	0.000	1	127.3105	0.815	2	127.1820	0.294	4	127.1820	0.294	4	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	127.0250	0.000	1	127.0535	0.002	2	127.1820	0.294	4	127.1820	0.294	4	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	127.0820	0.000	1	127.0535	0.002	2	127.1820	0.294	4	127.1820	0.294	4	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.5150	0.000	1	129.5150	0.000	1	129.5150	0.000	1	129.5150	0.000	1	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.3160	0.000	1	129.3160	0.000	1	128.9453	0.284	3	128.7220	0.245	5	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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<2>,2|C<4>,3|C<3>,4|H<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]HH){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.1850	0.000	1	129.1850	0.000	1	128.9453	0.284	3	128.7220	0.245	5	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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<2>,4|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.3350	0.000	1	128.3350	0.000	1	128.9453	0.284	3	128.7220	0.245	5	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.3870	0.194	2	128.3870	0.038	2	128.3870	0.038	2	128.7220	0.245	5	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	128.7980	0.000	1	128.7980	0.000	1	128.6920	0.022	2	128.5368	0.741	43	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.5860	0.000	1	128.5860	0.000	1	128.6920	0.022	2	128.5368	0.741	43	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.9392	0.253	8	128.9392	0.064	8	128.2226	0.391	27	128.5368	0.741	43	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	127.9208	0.464	19	127.9208	0.215	19	128.2226	0.391	27	128.5368	0.741	43	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	130.0785	0.161	2	130.0785	0.026	2	130.0785	0.026	2	128.5368	0.741	43	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.8140	0.493	4	128.7299	0.425	11	128.7299	0.425	11	128.5368	0.741	43	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.5870	0.787	6	128.7299	0.425	11	128.7299	0.425	11	128.5368	0.741	43	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3: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)	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	129.2510	0.000	1	128.7299	0.425	11	128.7299	0.425	11	128.5368	0.741	43	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	131.5040	0.000	1	131.5040	0.000	1	131.5040	0.000	1	128.5368	0.741	43	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,6]C[5,3x6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,3x6]C[5,6,6]C[3x6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,6]C[5,3x6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,3x6]C[5,6,6]C[3x6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	130.8920	0.000	1	130.8920	0.000	1	130.8920	0.000	1	128.3095	2.467	11	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3: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)	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[6,6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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>,4|C<4>,5|H<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[6,6]HH){2|C<3>,2|H<1>,6|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.2310	0.000	1	129.2310	0.000	1	127.8395	3.873	2	128.3095	2.467	11	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	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)	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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|C<2>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	126.4480	0.000	1	126.4480	0.000	1	127.8395	3.873	2	128.3095	2.467	11	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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|C<4>,5|H<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]HH){2|N<3>,4|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	130.3820	0.000	1	129.4910	1.588	2	129.4910	1.588	2	128.3095	2.467	11	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-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)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<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]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.6000	0.000	1	129.4910	1.588	2	129.4910	1.588	2	128.3095	2.467	11	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.9490	0.134	2	127.9490	0.018	2	127.9490	0.018	2	128.3095	2.467	11	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3: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)	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]HO)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	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<2>,2|C<3>,2|C<4>,3|H<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]HO){3|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.4530	0.000	1	128.4530	0.000	1	128.4530	0.000	1	128.3095	2.467	11	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	126.2555	0.325	2	126.2555	0.105	2	126.2555	0.105	2	128.3095	2.467	11	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.9900	0.000	1	128.9900	0.000	1	128.9900	0.000	1	128.3095	2.467	11	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:O-2:	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]O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	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]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,3|C<4>}	129.8460	0.000	1	129.8460	0.000	1	129.8460	0.000	1	129.8460	0.000	1	128.7285	1.548	74	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(CC[6a]O)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]C){4|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(CC[6a]O){2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	126.2505	0.264	2	126.2505	0.070	2	126.2505	0.070	2	126.2505	0.070	2	126.3888	0.065	5	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:4:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	126.4460	0.000	1	126.4460	0.000	1	126.4810	0.064	3	126.4810	0.064	3	126.3888	0.065	5	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:4:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	126.2480	0.000	1	126.2480	0.000	1	126.4810	0.064	3	126.4810	0.064	3	126.3888	0.065	5	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a,6a]	3:3:3:	3:4:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(SC[6a]OO){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	126.7490	0.000	1	126.7490	0.000	1	126.4810	0.064	3	126.4810	0.064	3	126.3888	0.065	5	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(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){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	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[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,3|C<4>}	126.6360	0.000	1	126.6360	0.000	1	126.6360	0.000	1	127.8179	10.178	9	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.4875	1.224	2	128.4875	1.498	2	128.4875	1.498	2	127.8179	10.178	9	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.9130	0.000	1	127.9130	0.000	1	129.2144	4.226	5	127.8179	10.178	9	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.3720	0.000	1	127.3720	0.000	1	129.2144	4.226	5	127.8179	10.178	9	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	128.1430	0.000	1	128.1430	0.000	1	129.2144	4.226	5	127.8179	10.178	9	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.2670	0.000	1	132.2670	0.000	1	129.2144	4.226	5	127.8179	10.178	9	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.3770	0.000	1	130.3770	0.000	1	129.2144	4.226	5	127.8179	10.178	9	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]Si[5,6]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]Si[5,6]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	120.6780	0.000	1	120.6780	0.000	1	120.6780	0.000	1	127.8179	10.178	9	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	128.3770	0.000	1	128.3770	0.000	1	128.3770	0.000	1	128.3770	0.000	1	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	128.3030	0.000	1	128.3030	0.000	1	128.3030	0.000	1	128.3030	0.000	1	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	129.5340	0.841	2	129.5340	0.708	2	129.5340	0.708	2	129.6046	1.460	7	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.6170	0.000	1	131.6170	0.000	1	131.6170	0.000	1	129.6046	1.460	7	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	128.3600	0.195	2	128.3600	0.038	2	129.0700	1.531	3	129.6046	1.460	7	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	130.4900	0.000	1	130.4900	0.000	1	129.0700	1.531	3	129.6046	1.460	7	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	129.3370	0.000	1	129.3370	0.000	1	129.3370	0.000	1	129.6046	1.460	7	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	128.8003	0.724	6	128.8003	0.525	6	128.8003	0.525	6	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CC[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.2410	0.000	1	128.2410	0.000	1	128.7581	2.605	10	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.2563	0.518	3	128.2563	0.268	3	128.7581	2.605	10	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.5870	0.296	2	129.5870	0.087	2	128.7581	2.605	10	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.5965	0.394	2	129.5965	0.155	2	128.7581	2.605	10	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	131.1020	0.000	1	131.1020	0.000	1	128.7581	2.605	10	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	125.1020	0.000	1	125.1020	0.000	1	128.7581	2.605	10	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SCOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	127.8220	0.000	1	127.8220	0.000	1	128.0064	0.250	5	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	128.1200	0.000	1	128.0525	0.319	4	128.0064	0.250	5	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	127.2400	0.000	1	128.0525	0.319	4	128.0064	0.250	5	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	128.4250	0.123	2	128.0525	0.319	4	128.0064	0.250	5	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]C){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(CH3){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	127.3440	0.000	1	127.3440	0.000	1	128.6605	3.466	2	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3){1|Rh<6>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.9770	0.000	1	129.9770	0.000	1	128.6605	3.466	2	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	127.8250	0.000	1	127.8250	0.000	1	127.8250	0.000	1	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.7130	0.000	1	128.7130	0.000	1	128.2612	2.335	4	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.0830	0.000	1	128.1107	3.366	3	128.2612	2.335	4	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.1245	2.594	2	128.1107	3.366	3	128.2612	2.335	4	128.5216	1.507	28	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(SC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S){1|C<3>,2|N<2>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(SC[6a]){1|H<1>,2|C<3>,2|C<4>}	129.4070	0.000	1	129.4070	0.000	1	129.4070	0.000	1	129.4070	0.000	1	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>,2|C<4>}	126.3580	0.000	1	126.3580	0.000	1	126.3580	0.000	1	126.3580	0.000	1	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	129.3530	0.000	1	129.3530	0.000	1	128.4785	1.530	2	129.6507	2.379	4	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,2|N<2>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>,2|C<4>}	127.6040	0.000	1	127.6040	0.000	1	128.4785	1.530	2	129.6507	2.379	4	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:S-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S){1|C<3>,2|N<2>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	130.8230	0.331	2	130.8230	0.110	2	130.8230	0.110	2	129.6507	2.379	4	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.6935	0.810	2	127.8747	0.426	3	127.8747	0.426	3	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.2370	0.000	1	127.8747	0.426	3	127.8747	0.426	3	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|Br<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	128.5270	0.000	1	128.5270	0.000	1	128.5270	0.000	1	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.3720	0.000	1	128.3720	0.000	1	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.6150	0.000	1	127.7075	0.298	4	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	127.9880	0.713	2	127.7075	0.298	4	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.2390	0.000	1	127.7075	0.298	4	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	126.9210	0.000	1	127.0490	0.033	2	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.1770	0.000	1	127.0490	0.033	2	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.2660	0.000	1	127.7857	0.214	4	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.6257	0.408	3	127.7857	0.214	4	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.8800	0.059	2	127.9338	0.010	4	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.9875	0.121	2	127.9338	0.010	4	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	129.2420	0.000	1	129.2420	0.000	1	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.3270	0.000	1	127.3270	0.000	1	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.0090	0.000	1	127.4630	0.412	2	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.9170	0.000	1	127.4630	0.412	2	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	127.4200	0.000	1	127.4200	0.000	1	127.7546	0.327	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,2|H<1>}	128.4430	0.000	1	128.4430	0.000	1	128.4430	0.000	1	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.1550	0.000	1	127.1550	0.000	1	128.3580	2.894	2	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	129.5610	0.000	1	129.5610	0.000	1	128.3580	2.894	2	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.8750	0.000	1	128.8750	0.000	1	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.8030	0.000	1	128.8030	0.000	1	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	128.6750	0.000	1	128.6750	0.000	1	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.3710	0.418	4	128.3710	0.175	4	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	128.2100	0.000	1	128.2100	0.000	1	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.9230	0.000	1	128.9230	0.000	1	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.8100	0.000	1	127.8100	0.000	1	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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|N<2>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	126.6770	0.000	1	126.6770	0.000	1	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	129.1710	0.000	1	129.1710	0.000	1	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.7030	0.000	1	127.7030	0.000	1	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	129.2130	0.000	1	128.7623	0.257	3	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.5370	0.457	2	128.7623	0.257	3	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	130.6670	0.000	1	130.6670	0.000	1	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2S[5])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2S[5])(H){1|H<1>,2|C<3>,2|N<2>,2|S<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	125.0230	0.000	1	125.0230	0.000	1	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<4>,2|H<1>}	131.7410	0.379	2	131.7410	0.144	2	128.6895	2.313	20	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|Se<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	127.8160	0.000	1	127.8160	0.000	1	127.8160	0.000	1	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H){2|C<3>,2|H<1>,2|S<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H){2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|N<3>,1|P<4>,2|H<1>,3|C<3>}	128.7450	0.000	1	128.7450	0.000	1	128.7450	0.000	1	128.2195	1.325	49	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	127.0110	0.000	1	127.0110	0.000	1	127.0110	0.000	1	127.0445	0.180	4	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(OH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(OH){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	126.6940	0.000	1	126.6940	0.000	1	127.0557	0.270	3	127.0445	0.180	4	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(OH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(OH){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	127.2365	0.586	2	127.2365	0.344	2	127.0557	0.270	3	127.0445	0.180	4	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO){1|Br<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	128.7640	0.000	1	128.7640	0.000	1	128.7640	0.000	1	128.7382	2.057	15	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.9260	1.100	2	129.9260	1.211	2	129.9260	1.211	2	128.7382	2.057	15	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.3740	0.000	1	128.3740	0.000	1	128.9582	0.279	6	128.7382	2.057	15	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	129.0110	0.000	1	129.0110	0.000	1	128.9582	0.279	6	128.7382	2.057	15	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]NN)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,2|H<1>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]NN)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	128.9240	0.000	1	128.9240	0.000	1	128.9582	0.279	6	128.7382	2.057	15	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.1030	0.000	1	129.4785	0.282	2	128.9582	0.279	6	128.7382	2.057	15	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.8540	0.000	1	129.4785	0.282	2	128.9582	0.279	6	128.7382	2.057	15	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]O){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.4830	0.000	1	128.4830	0.000	1	128.9582	0.279	6	128.7382	2.057	15	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	126.0050	0.962	2	126.0050	0.925	2	127.4682	2.027	5	128.7382	2.057	15	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	128.4437	0.153	3	128.4437	0.023	3	127.4682	2.027	5	128.7382	2.057	15	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	131.3670	0.000	1	131.3670	0.000	1	131.3670	0.000	1	128.7382	2.057	15	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	128.2920	0.000	1	128.2920	0.000	1	128.2920	0.000	1	128.2920	0.000	1	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	128.4253	0.326	4	128.4253	0.106	4	128.4253	0.106	4	128.4253	0.106	4	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|Br<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,3|C<4>}	128.1530	0.000	1	128.1530	0.000	1	128.1530	0.000	1	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	127.2470	0.000	1	127.2470	0.000	1	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	126.9010	0.000	1	128.0420	2.604	2	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.1830	0.000	1	128.0420	2.604	2	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	126.7600	0.000	1	127.6058	0.350	4	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.8877	0.219	3	127.6058	0.350	4	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.3283	0.281	3	128.3283	0.079	3	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.3700	0.000	1	128.4885	0.028	2	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.6070	0.000	1	128.4885	0.028	2	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.3196	0.407	7	128.1513	0.346	12	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.8388	0.861	4	128.1513	0.346	12	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.2240	0.000	1	128.1513	0.346	12	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	126.4620	0.000	1	126.4620	0.000	1	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.5540	0.000	1	129.1715	0.763	2	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	129.7890	0.000	1	129.1715	0.763	2	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CCCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CCCH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	132.5030	0.000	1	132.5030	0.000	1	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	129.8830	0.000	1	130.2542	0.119	5	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|H<1>,1|N<3>,1|S<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	130.1900	0.267	2	130.2542	0.119	5	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	130.5040	0.366	2	130.2542	0.119	5	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	130.1870	0.051	2	130.0783	0.037	3	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	129.8610	0.000	1	130.0783	0.037	3	128.6763	1.672	36	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SCOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SCOO){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.5590	0.000	1	127.5590	0.000	1	127.5705	0.993	11	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|H<1>,1|N<3>,1|N<4>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.5610	0.000	1	127.2220	0.775	4	127.5705	0.993	11	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	126.5285	0.387	2	127.2220	0.775	4	127.5705	0.993	11	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	128.2700	0.000	1	127.2220	0.775	4	127.5705	0.993	11	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO){1|Br<1>,1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.6940	0.000	1	126.6910	2.012	2	127.5705	0.993	11	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	125.6880	0.000	1	126.6910	2.012	2	127.5705	0.993	11	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.3040	0.564	2	128.3040	0.318	2	127.5705	0.993	11	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.4195	0.852	2	128.4195	0.726	2	127.5705	0.993	11	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.1160	0.000	1	128.3153	0.030	3	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.4150	0.000	2	128.3153	0.030	3	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.3440	2.541	3	129.3440	6.458	3	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.5900	0.000	1	127.6727	0.825	3	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.6540	0.000	1	127.6727	0.825	3	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	126.7740	0.000	1	127.6727	0.825	3	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CC[6a]HH){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.4900	0.041	2	128.4900	0.002	2	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.9220	0.000	1	128.6888	0.242	5	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.6305	0.548	4	128.6888	0.242	5	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.7675	0.235	2	128.1560	3.363	17	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.5290	0.000	1	128.1560	3.363	17	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.6687	1.494	3	128.1560	3.363	17	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	128.1810	0.000	1	128.1560	3.363	17	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.9139	2.549	8	128.1560	3.363	17	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	129.0450	0.380	2	128.1560	3.363	17	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	127.3230	0.000	1	127.3230	0.000	1	128.3057	2.303	34	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>}	127.6430	0.000	1	127.6860	0.004	2	127.7996	1.084	10	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	127.7290	0.000	1	127.6860	0.004	2	127.7996	1.084	10	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>}	128.0530	0.000	1	127.7500	1.564	7	127.7996	1.084	10	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.9785	1.662	4	127.7500	1.564	7	127.7996	1.084	10	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	126.9780	0.000	1	127.7500	1.564	7	127.7996	1.084	10	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.3050	0.000	1	127.7500	1.564	7	127.7996	1.084	10	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.3740	0.000	1	128.3740	0.000	1	127.7996	1.084	10	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	131.5130	0.000	1	131.5130	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(CH3){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	127.3060	0.000	1	127.3060	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.1180	0.000	1	129.1180	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.0295	0.319	2	128.0295	0.102	2	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.7210	0.000	1	128.7210	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	130.0120	0.000	1	130.0120	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.6180	0.523	2	128.6180	0.274	2	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.7880	0.000	1	128.7880	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.9620	0.000	1	128.9620	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.3720	0.000	1	128.3720	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.2800	0.000	1	128.2800	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.0300	0.000	1	128.0300	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.4720	0.342	2	128.4720	0.117	2	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	130.3670	0.000	1	130.3670	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	129.7230	0.000	1	129.7230	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	130.4690	0.000	1	130.4690	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	130.0160	0.000	1	130.0160	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	129.6900	0.864	2	129.6900	0.747	2	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	131.8970	0.000	1	131.8970	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	130.9840	0.000	1	130.9840	0.000	1	129.2574	1.454	24	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|H<1>,3|C<3>,3|C<4>}	130.7080	0.000	1	130.7080	0.000	1	130.7080	0.000	1	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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|C<4>,1|O<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.5660	0.000	1	128.2200	0.239	2	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.8740	0.000	1	128.2200	0.239	2	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|S<4>,2|C<3>,2|C<4>}	127.2520	0.000	1	127.2520	0.000	1	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	126.9000	0.000	1	126.9000	0.000	1	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(SCOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(SCOO){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.5990	0.000	1	127.5990	0.000	1	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<2>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.7060	0.000	1	128.1001	0.304	10	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.7920	0.591	2	128.1001	0.304	10	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.6120	0.000	1	128.1001	0.304	10	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	127.8540	0.000	1	128.1001	0.304	10	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.8070	0.510	3	128.1001	0.304	10	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|C<4>}	128.3900	0.000	1	128.1001	0.304	10	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.4340	0.000	1	128.1001	0.304	10	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<2>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	128.2020	0.000	1	127.9510	0.568	4	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.4980	0.000	1	127.9510	0.568	4	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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<2>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.8930	0.000	1	127.9510	0.568	4	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	127.2110	0.000	1	127.9510	0.568	4	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.8110	0.000	1	128.8110	0.000	1	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	128.8490	0.000	1	128.8490	0.000	1	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.4353	0.246	3	127.4353	0.060	3	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(SC[6a]OO){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<4>}	125.8170	0.000	1	125.8170	0.000	1	127.8712	0.568	25	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	129.2640	0.000	1	129.2640	0.000	1	129.2640	0.000	1	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	124.6925	0.344	2	124.6925	0.119	2	124.6925	0.119	2	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	127.0750	0.000	1	127.0750	0.000	1	127.0750	0.000	1	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]S[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,5]OO)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]S[5]C){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,5]OO)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	123.4890	0.000	1	123.4890	0.000	1	123.4890	0.000	1	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.5683	0.940	3	126.5683	0.884	3	126.3074	1.016	14	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]ClRh)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.7810	0.294	2	126.7810	0.087	2	126.3074	1.016	14	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<5>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.0503	1.221	7	125.9862	1.310	8	126.3074	1.016	14	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<6>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	125.5380	0.000	1	125.9862	1.310	8	126.3074	1.016	14	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.1470	0.000	1	127.1470	0.000	1	126.3074	1.016	14	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.5915	0.168	2	128.5915	0.028	2	128.5915	0.028	2	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(SC[6a]OO){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.4690	0.000	1	127.4690	0.000	1	127.4690	0.000	1	128.1463	2.237	164	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<3>,4|C<4>}	129.2520	0.000	1	129.2520	0.000	1	129.2520	0.000	1	129.2520	0.000	1	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	129.5090	0.201	2	129.5090	0.040	2	128.9343	1.011	3	128.7202	5.584	6	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	127.7850	0.000	1	127.7850	0.000	1	128.9343	1.011	3	128.7202	5.584	6	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	126.6370	0.000	1	126.6370	0.000	1	126.6370	0.000	1	128.7202	5.584	6	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S){4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)2{1|S<4>,2|C<4>,3|H<1>,5|C<3>}	126.2480	0.000	1	126.2480	0.000	1	126.2480	0.000	1	128.7202	5.584	6	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(NOO)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(NOO){1|C<3>,1|H<1>,3|C<4>}	132.6330	0.000	1	132.6330	0.000	1	132.6330	0.000	1	128.7202	5.584	6	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	126.6130	0.000	1	126.6130	0.000	1	126.6130	0.000	1	126.6895	0.012	2	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	126.7660	0.000	1	126.7660	0.000	1	126.7660	0.000	1	126.6895	0.012	2	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	N[5](C[3x5]C[3x5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[3x5]C[3x5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|S<4>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.2860	0.000	1	127.2860	0.000	1	127.2860	0.000	1	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[3x5]N[3,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[3x5]N[3,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.8570	0.000	1	127.8570	0.000	1	127.4683	2.011	17	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.1530	0.000	1	128.1530	0.000	1	127.4683	2.011	17	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.5420	0.000	1	128.5420	0.000	1	127.4683	2.011	17	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.5190	0.000	1	128.5190	0.000	1	127.4683	2.011	17	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.7860	0.000	1	127.5645	0.098	2	127.4683	2.011	17	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.3430	0.000	1	127.5645	0.098	2	127.4683	2.011	17	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	126.8157	0.324	3	126.8157	0.105	3	127.4683	2.011	17	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|O<2>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	126.2940	1.404	2	126.2940	1.972	2	127.4683	2.011	17	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.2220	0.000	1	127.2220	0.000	1	127.4683	2.011	17	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|Cl<1>,1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	125.8615	0.052	2	125.8615	0.003	2	127.4683	2.011	17	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-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)	N[5](C[5,5]C[5,6]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	130.9500	0.000	1	130.9500	0.000	1	127.4683	2.011	17	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-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)	N[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	129.5310	0.000	1	129.5310	0.000	1	127.4683	2.011	17	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|P<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	126.3000	0.000	1	126.3000	0.000	1	127.4683	2.011	17	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6,6]C[6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,5,6,6]C[6]C)(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.7020	0.000	1	128.7020	0.000	1	128.0979	0.343	9	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.2530	0.096	2	128.1842	0.032	5	128.0979	0.343	9	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.0090	0.000	1	128.1842	0.032	5	128.0979	0.343	9	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.3980	0.000	1	128.1842	0.032	5	128.0979	0.343	9	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.0080	0.000	1	128.1842	0.032	5	128.0979	0.343	9	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.7770	0.000	1	128.7770	0.000	1	128.0979	0.343	9	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	127.2405	0.531	2	127.2405	0.282	2	128.0979	0.343	9	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.9160	0.000	1	127.9160	0.000	1	127.9324	0.171	5	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.9280	0.000	1	127.9280	0.000	1	127.9324	0.171	5	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	128.5800	0.000	1	128.5800	0.000	1	127.9324	0.171	5	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.4360	0.000	1	127.4360	0.000	1	127.9324	0.171	5	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	127.8020	0.000	1	127.8020	0.000	1	127.9324	0.171	5	127.7122	1.238	32	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	126.9340	0.000	1	126.9340	0.000	1	126.9340	0.000	1	126.9340	0.000	1	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]O)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(OC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(OC){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	127.7550	0.000	1	127.7550	0.000	1	127.7550	0.000	1	127.7550	0.000	1	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	129.2840	0.000	1	129.2840	0.000	1	129.2840	0.000	1	129.2840	0.000	1	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]C)	N[5](C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.0640	0.000	1	128.0640	0.000	1	128.0640	0.000	1	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|O<2>,1|S<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.6640	0.000	1	128.6640	0.000	1	128.6640	0.000	1	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,3|C<4>}	128.5720	0.000	1	128.5720	0.000	1	128.5720	0.000	1	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3: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)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,3|C<4>}	128.0870	0.000	1	127.7375	0.244	2	127.9410	0.246	3	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3: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)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.3880	0.000	1	127.7375	0.244	2	127.9410	0.246	3	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.3480	0.000	1	128.3480	0.000	1	127.9410	0.246	3	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.3840	0.000	1	128.3840	0.000	1	127.6710	0.308	4	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,4|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.2720	0.000	1	127.2720	0.000	1	127.6710	0.308	4	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.5140	0.454	2	127.5140	0.206	2	127.6710	0.308	4	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.2335	0.494	2	127.2335	0.244	2	127.8942	0.670	17	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.7650	0.000	1	128.7650	0.000	1	127.8942	0.670	17	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.0810	0.331	5	128.0810	0.109	5	127.8942	0.670	17	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	127.3910	0.000	1	127.1160	0.151	2	127.8942	0.670	17	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	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|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,4|C<4>}	126.8410	0.000	1	127.1160	0.151	2	127.8942	0.670	17	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.3300	0.000	1	128.3300	0.000	1	127.8942	0.670	17	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.0510	0.000	1	128.0510	0.000	1	127.8942	0.670	17	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.7690	0.000	1	128.5200	0.167	3	127.8942	0.670	17	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.0480	0.000	1	128.5200	0.167	3	127.8942	0.670	17	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	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>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,3|C<4>}	128.7430	0.000	1	128.5200	0.167	3	127.8942	0.670	17	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-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)	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.6400	0.000	1	128.6400	0.000	1	127.8942	0.670	17	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Se<2>,2|C<3>,2|H<1>}	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,2|C<4>}	125.7520	0.000	1	125.7520	0.000	1	127.8942	0.670	17	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(SCOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(SCOO){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.7500	0.000	1	127.7500	0.000	1	127.7107	2.684	3	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5,6]S){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	126.0530	0.000	1	126.0530	0.000	1	127.7107	2.684	3	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){3|C<3>,3|H<1>}	N[5](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	129.3290	0.000	1	129.3290	0.000	1	127.7107	2.684	3	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[3,5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H)	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SCOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SCOO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.5300	0.000	1	128.5300	0.000	1	128.0327	0.186	3	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[3,5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H)	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	127.7840	0.000	2	127.7840	0.000	2	128.0327	0.186	3	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.0390	0.651	2	128.0390	0.423	2	127.8686	0.919	7	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	127.3992	0.773	4	127.3992	0.597	4	127.8686	0.919	7	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	129.4050	0.000	1	129.4050	0.000	1	127.8686	0.919	7	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	128.5930	0.000	1	128.5930	0.000	1	128.1275	0.433	2	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,4|C<4>}	127.6620	0.000	1	127.6620	0.000	1	128.1275	0.433	2	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]S)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	128.6980	0.000	1	128.6980	0.000	1	128.6980	0.000	1	127.9366	0.618	43	128.1681	2.021	377	128.0932	2.409	534
727	542	643	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[6a]	3:3:3:	5:3:4:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	In[3x5]-5:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]N[3x5]C[6a])(N[5]In[3x5]C)(C[6a]C[6a]H)	N[5](In[3x5]N[3x5]N[5]2Ni)(C[5,6a]C[5,6a]C[6a])(CHHP)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[3x5]C[6a])(N[5]In[3x5]C)(C[6a]C[6a]H){1|Ni<4>,2|H<1>,2|N<3>,3|C<3>}	N[5](In[3x5]N[3x5]N[5]2Ni)(C[5,6a]C[5,6a]C[6a])(CHHP){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<5>,1|C<3>,1|C<4>,1|H<1>,1|N<4>}	125.1260	0.000	1	125.1260	0.000	1	125.1260	0.000	1	125.1260	0.000	1	128.1681	2.021	377	128.0932	2.409	534
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Ge[5]-2:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(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]){3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ge<2>,1|N<3>,2|C<3>,2|H<1>}	123.1190	0.000	1	123.1190	0.000	1	123.1190	0.000	1	123.1190	0.000	1	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	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>}	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	125.4600	0.000	1	125.4600	0.000	1	125.4600	0.000	1	125.4600	0.000	1	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:4:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[5a,6]-3:C[5]-4:	C[5,6,6a]-3:C[6]-4:C[6a]-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])	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a,6]C[6a]C)(C[6a]C[6a]H)	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>}	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a,6]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	124.5680	0.000	1	124.5680	0.000	1	124.5680	0.000	1	124.5680	0.000	1	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Ga[5]-4:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(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]){2|O<2>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<4>,1|N<3>,2|C<3>,2|H<1>}	123.0830	0.000	1	123.0830	0.000	1	123.0830	0.000	1	123.5494	0.126	8	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6a]-3:C[6]-3:C[6a]-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])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	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>}	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	123.3485	0.018	2	123.3485	0.000	2	123.3485	0.000	2	123.5494	0.126	8	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(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]){1|C<4>,3|C<3>,6|H<1>}	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	123.2160	0.000	1	123.2160	0.000	1	123.2160	0.000	1	123.5494	0.126	8	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6a]-3:C[5a,6]-3:C[6a]-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])	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]H)	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>}	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	123.8498	0.195	4	123.8498	0.038	4	123.8498	0.038	4	123.5494	0.126	8	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[5]C[6]H)(C[5]N[5,6]Ir)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Ir<6>,1|C<3>,4|C<4>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[5]C[6]H)(C[5]N[5,6]Ir){1|Fe<10>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	130.0830	0.443	2	130.0830	0.196	2	129.8855	0.118	4	127.4754	7.432	8	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]N[5,6]Ir)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Ir<6>,2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]N[5,6]Ir){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	129.6880	0.047	2	129.6880	0.002	2	129.8855	0.118	4	127.4754	7.432	8	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	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])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]O)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	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>}	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	126.9810	0.000	1	126.9810	0.000	1	126.9810	0.000	1	127.4754	7.432	8	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	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])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	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>}	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	124.6240	0.000	1	124.6240	0.000	1	124.4267	0.154	3	127.4754	7.432	8	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	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])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	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>}	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	123.9750	0.000	1	124.3280	0.249	2	124.4267	0.154	3	127.4754	7.432	8	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	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])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	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>}	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	124.6810	0.000	1	124.3280	0.249	2	124.4267	0.154	3	127.4754	7.432	8	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Si[5]-4:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[5]O[5]CO)(C[6]C[6]CH)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[5]O[5]CO)(C[6]C[6]CH){1|H<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	125.8310	0.000	1	125.8310	0.000	1	125.8310	0.000	1	125.8310	0.000	1	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Rh<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	122.9300	0.000	1	122.9300	0.000	1	122.9300	0.000	1	122.7565	0.060	2	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:P[5]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[6]P[5])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(P[5]C[5]OO)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[6]P[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(P[5]C[5]OO){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	122.5830	0.000	1	122.5830	0.000	1	122.5830	0.000	1	122.7565	0.060	2	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6a]-3:C[6]-4:C[6a]-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])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	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|N<3>,9|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	125.6390	0.000	1	125.6390	0.000	1	125.6390	0.000	1	125.6390	0.000	1	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:5:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(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]){1|N<3>,2|O<2>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<5>,1|N<3>,2|C<3>,2|H<1>}	122.2780	0.648	2	122.2780	0.420	2	122.2780	0.420	2	122.4366	0.874	12	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:5:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:In[5,6]-5:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(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]){1|Cl<1>,2|Se<2>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<5>,1|N<3>,2|C<3>,2|H<1>}	120.6620	0.417	2	120.6620	0.174	2	120.6620	0.174	2	122.4366	0.874	12	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:5:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	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>}	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<5>,1|O<2>,2|C<3>,2|H<1>}	123.2760	0.000	1	123.2760	0.000	1	122.9199	0.114	8	122.4366	0.874	12	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:5:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]Cl)(C[6]C[6]H)	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>}	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Ga<5>,1|O<2>,2|C<3>,2|H<1>}	122.6650	0.000	1	122.6650	0.000	1	122.9199	0.114	8	122.4366	0.874	12	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:5:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	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>}	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<5>,1|O<2>,2|C<3>,2|H<1>}	122.9030	0.348	6	122.9030	0.121	6	122.9199	0.114	8	122.4366	0.874	12	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:In[5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(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]){1|O<3>,3|H<1>,3|O<2>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	123.2897	2.216	4	123.2897	4.911	4	123.2897	4.911	4	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(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]){4|Cl<1>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	123.6890	0.086	2	123.6890	0.007	2	123.9775	0.174	6	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(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]){3|H<1>,4|C<3>,4|N<2>}	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	124.0745	0.523	2	124.0745	0.273	2	123.9775	0.174	6	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(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]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	124.1690	0.574	2	124.1690	0.330	2	123.9775	0.174	6	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[5,5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(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]){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	122.8125	0.093	2	122.8125	0.009	2	122.8125	0.009	2	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[5,6]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(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]){1|O<3>,3|H<1>,3|O<2>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	122.5055	1.531	4	122.5055	2.345	4	122.5055	2.345	4	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:In[5,5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(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]){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	121.5370	0.943	2	121.5370	0.890	2	121.5370	0.890	2	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Ga[5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(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]){1|O<3>,3|F<1>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	123.3620	0.000	1	123.3620	0.000	1	123.3620	0.000	1	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:In[5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(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]){1|Cl<1>,3|H<1>,3|O<2>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	121.7460	0.000	1	121.7460	0.000	1	121.7460	0.000	1	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(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]){1|C<2>,3|F<1>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	123.8630	0.701	2	123.8630	0.492	2	123.8510	0.166	4	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(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]){4|Cl<1>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	123.7810	0.000	1	123.7810	0.000	1	123.8510	0.166	4	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(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]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	123.8970	0.000	1	123.8970	0.000	1	123.8510	0.166	4	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[5,5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(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]){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	123.1410	0.000	1	123.1410	0.000	1	123.1410	0.000	1	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:In[5,5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(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]){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	123.1110	0.000	1	123.1110	0.000	1	123.1110	0.000	1	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[3x5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(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]){2|C<3>,2|N<3>,2|O<2>,4|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){1|H<1>,9|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|O<2>,2|C<3>,2|H<1>}	122.7137	0.447	3	122.7137	0.200	3	122.7137	0.200	3	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Ge[3x5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(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]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|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){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ge<6>,1|O<2>,2|C<3>,2|H<1>}	122.1095	0.651	2	122.1095	0.424	2	122.1095	0.424	2	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:In[3x5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(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]){2|C<3>,2|N<3>,2|O<2>,4|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){1|H<1>,9|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|O<2>,2|C<3>,2|H<1>}	121.4980	0.595	6	121.4980	0.354	6	121.4980	0.354	6	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Si[4,5,5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(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]){2|C<3>,2|N<3>,2|O<2>,4|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){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	123.4770	0.000	1	123.4770	0.000	1	123.4770	0.000	1	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(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]){2|Br<1>,2|C<3>,2|N<3>,4|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){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	124.1320	0.000	1	124.1320	0.000	1	123.8252	0.087	5	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(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]){2|Cl<1>,2|C<3>,2|N<3>,4|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){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	124.1220	0.000	1	124.1220	0.000	1	123.8252	0.087	5	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:6:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(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]){2|C<3>,2|N<2>,2|N<3>,4|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){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	123.6240	0.150	3	123.6240	0.023	3	123.8252	0.087	5	122.9409	1.473	43	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:7:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Nb[3x5]-7:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(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]){1|O<1>,2|C<3>,2|N<3>,2|O<2>,4|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){1|H<1>,9|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Nb<7>,1|O<2>,2|C<3>,2|H<1>}	122.9190	1.114	2	122.9190	1.242	2	122.9190	1.242	2	122.9190	1.242	2	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	6:3:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	In[3x4,5,3x6]-6:C[5,6,6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(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]){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	121.2765	2.287	2	121.2765	5.233	2	121.2765	5.233	2	122.0729	1.942	17	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	6:3:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	In[4,5,6]-6:C[5,6,6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(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]){1|Cl<1>,1|Se<3>,2|Se<2>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	121.2490	0.000	1	121.2490	0.000	1	121.2490	0.000	1	122.0729	1.942	17	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	6:3:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	Si[3x5]-6:C[5,6,6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	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])	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(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]){2|N<3>,2|O<2>,3|H<1>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	124.4920	0.136	2	124.4920	0.018	2	124.4920	0.018	2	122.0729	1.942	17	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	6:3:3:	3:3:3:	N[5,6]-3:C[5,6,6a]-3:C[6,6a]-3:	In[3x4,5,3x6]-6:C[5,6,6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-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])	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(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]){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	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[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	121.8711	1.030	12	121.8711	1.062	12	121.8711	1.062	12	122.0729	1.942	17	123.2485	3.704	97	123.2485	3.704	97
727	542	643	6:SP2_SP2_SP3	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:4:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a](N[5,6]C[6,6a]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[5]C[5]HH)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[5,6,6a](N[5,6]C[6,6a]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,6|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	124.9610	0.000	1	124.9610	0.000	1	124.9610	0.000	1	124.9610	0.000	1	124.5790	0.292	2	124.5790	0.292	2
727	542	643	6:SP2_SP2_SP3	C[5,6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Rh<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	124.1970	0.000	1	124.1970	0.000	1	124.1970	0.000	1	124.1970	0.000	1	124.5790	0.292	2	124.5790	0.292	2